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Chemical ID: 5639605

Chemical ID:

5639605

Name [?]:

methyl 6-[(4-acetylphenyl)carbamoyl]pyridine-2-carboxylate

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)c2cccc(n2)C(=O)OC

InChi [?]:

InChI=1/C16H14N2O4/c1-10(19)11-6-8-12(9-7-11)17-15(20)13-4-3-5-14(18-13)16(21)22-2/h3-9H,1-2H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,22,15,14,16,5,9,6,8,2,4,7,13,17,11,19,10,18,3,12,20,21/E:(6,7)(8,9)/rA:22nCCOCCCCCCNCOCCCCCNCOOC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;d19;s19;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₆H₁₄N₂O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	9.10262
Area:	512.192
Solvation:	-3.70219
Coulombic:	-56.0759

Bond Count [?]

All:	23
Single:	14
Double:	9
Rotors:	6
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	298.293
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	1.7
LogP (Chemaxon):	1.44

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value