2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide

C14H15N3O2 — CID 114326804

IUPAC2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccnc(CN)c2)c1
InChIInChI=1S/C14H15N3O2/c1-9-2-3-13(18)12(6-9)17-14(19)10-4-5-16-11(7-10)8-15/h2-7,18H,8,15H2,1H3,(H,17,19)
InChIKeyVEBXUAJVYIZZSW-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.81
Rot. Bonds3

About 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide (PubChem CID 114326804) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
PubChem CID114326804
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccc(O)c(NC(=O)c2ccnc(CN)c2)c1
InChIInChI=1S/C14H15N3O2/c1-9-2-3-13(18)12(6-9)17-14(19)10-4-5-16-11(7-10)8-15/h2-7,18H,8,15H2,1H3,(H,17,19)
InChIKeyVEBXUAJVYIZZSW-UHFFFAOYSA-N
XLogP1.81
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide
CID 114325820
2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 114325733
3-amino-N-(2-hydroxy-5-methylphenyl)-4-methylbenzamide
CID 29262487
2-(aminomethyl)-N-(2,5-difluorophenyl)pyridine-4-carboxamide
CID 114325502
2-(aminomethyl)-N-(2,4-difluorophenyl)pyridine-4-carboxamide
CID 114325533
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
5-[[3,5-bis[(2-hydroxy-5-methylphenyl)carbamoyl]phenyl]methyl]-1-N,3-N-bis(2-hydroxy-5-methylphenyl)benzene-1,3-dicarboxamide
CID 16753383
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
2-butyl-N-(5-chloro-2-hydroxyphenyl)pyridine-4-carboxamide
CID 10494761
2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
3-[(2-hydroxy-5-methylphenyl)carbamoyl]benzoic acid
CID 75465271
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide (CID 114326804) is 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide is Cc1ccc(O)c(NC(=O)c2ccnc(CN)c2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide?
The InChIKey is VEBXUAJVYIZZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-2-3-13(18)12(6-9)17-14(19)10-4-5-16-11(7-10)8-15/h2-7,18H,8,15H2,1H3,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-hydroxy-5-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).