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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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Experimental Annotations
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Descriptor Annotations
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