N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide

C15H16N2O4 — CID 63866016

IUPACN-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(O)c2)cc1OC
InChIInChI=1S/C15H16N2O4/c1-20-13-4-3-10(5-14(13)21-2)7-17-15(19)11-6-12(18)9-16-8-11/h3-6,8-9,18H,7H2,1-2H3,(H,17,19)
InChIKeyRHZFDCDFARXNMT-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.73
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide (PubChem CID 63866016) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
PubChem CID63866016
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cncc(O)c2)cc1OC
InChIInChI=1S/C15H16N2O4/c1-20-13-4-3-10(5-14(13)21-2)7-17-15(19)11-6-12(18)9-16-8-11/h3-6,8-9,18H,7H2,1-2H3,(H,17,19)
InChIKeyRHZFDCDFARXNMT-UHFFFAOYSA-N
XLogP1.73
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-ethylanilino)pyridine-3-carboxamide
CID 109237906
5-hydroxy-N-[(4-hydroxyphenyl)methyl]pyridine-3-carboxamide
CID 115621996
5-(3,4-difluoroanilino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 109237922
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
N-[[4-(aminomethyl)phenyl]methyl]-5-hydroxypyridine-3-carboxamide
CID 81090318
N-[(3,4-dimethoxyphenyl)methyl]-5-[(2-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232108
5-hydroxy-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 63864257
N-[(3,4-dimethoxyphenyl)methyl]-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230902
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide (CID 63866016) is N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide is COc1ccc(CNC(=O)c2cncc(O)c2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide?
The InChIKey is RHZFDCDFARXNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-4-3-10(5-14(13)21-2)7-17-15(19)11-6-12(18)9-16-8-11/h3-6,8-9,18H,7H2,1-2H3,(H,17,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-5-hydroxypyridine-3-carboxamide is sourced from PubChem (CID 63866016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).