N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide

C15H13N3O4 — CID 6326517

IUPACN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(CO)nc1
InChIInChI=1S/C15H13N3O4/c19-8-12-3-2-11(7-16-12)15(20)18-17-6-10-1-4-13-14(5-10)22-9-21-13/h1-7,19H,8-9H2,(H,18,20)/b17-6-
InChIKeyGKKJIONLHMPVHW-FMQZQXMHSA-N
MW299.29 g/mol
LogP1.07
Rot. Bonds4

About N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide

N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide (PubChem CID 6326517) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide
PubChem CID6326517
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC NameN-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide
SMILESO=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(CO)nc1
InChIInChI=1S/C15H13N3O4/c19-8-12-3-2-11(7-16-12)15(20)18-17-6-10-1-4-13-14(5-10)22-9-21-13/h1-7,19H,8-9H2,(H,18,20)/b17-6-
InChIKeyGKKJIONLHMPVHW-FMQZQXMHSA-N
XLogP1.07
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)-1,3-benzodioxole-5-carboxamide
CID 2592818
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-chlorobenzamide
CID 5404525
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]benzamide
CID 6894182
N-(1,3-benzodioxol-5-ylmethylideneamino)-3,4-dimethoxybenzamide
CID 2063694
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 135642296
N-[(4-ethylphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2592997
N-(benzylideneamino)-1,3-benzodioxole-5-carboxamide
CID 834948
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-3-carboxamide
CID 6898640
N-[(3-bromo-4-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 3943959
N-(1,3-benzodioxol-5-ylmethylideneamino)-1-phenacylpyridin-1-ium-4-carboxamide
CID 3104433
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-tert-butylphenoxy)methyl]benzamide
CID 6164401
N-[(3-hydroxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide
CID 2693777

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide (CID 6326517) is N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide is O=C(N/N=C\c1ccc2c(c1)OCO2)c1ccc(CO)nc1.
What is the InChIKey of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide?
The InChIKey is GKKJIONLHMPVHW-FMQZQXMHSA-N. The full InChI is InChI=1S/C15H13N3O4/c19-8-12-3-2-11(7-16-12)15(20)18-17-6-10-1-4-13-14(5-10)22-9-21-13/h1-7,19H,8-9H2,(H,18,20)/b17-6-.
What are the key properties of N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide?
N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide has a molecular weight of 299.29 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-6-(hydroxymethyl)pyridine-3-carboxamide is sourced from PubChem (CID 6326517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).