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Chemical ID: 4291342

Chemical ID:

4291342

Name [?]:

N-(benzo[1,3]dioxol-5-ylmethyleneamino)-1-methyl-6-oxo-pyridine-3-carboxamide

SMILES [?]:

Cn1cc(ccc1=O)C(=O)NN=Cc2ccc3c(c2)OCO3

InChi [?]:

InChI=1/C15H13N3O4/c1-18-8-11(3-5-14(18)19)15(20)17-16-7-10-2-4-12-13(6-10)22-9-21-12/h2-8H,9H2,1H3,(H,17,20)

InChi Info:

AuxInfo=1/1/N:1,15,5,16,6,19,13,3,21,14,4,17,18,7,9,12,11,2,8,10,22,20/rA:22nCNCCCCCOCONNCCCCCCCOCO/rB:s1;s2;d3;s4;d5;s2s6;d7;s4;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s18;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₅H₁₃N₃O₄
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	6.53323
Area:	484.88
Solvation:	-5.58876
Coulombic:	-49.9609

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	4
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	299.282
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	1.68
LogP (Chemaxon):	1.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value