2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide

C14H14ClN3O2 — CID 114326382

IUPAC2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2ccnc(CN)c2)c1
InChIInChI=1S/C14H14ClN3O2/c1-20-11-2-3-12(15)13(7-11)18-14(19)9-4-5-17-10(6-9)8-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyYEQGKOCIJVXWQQ-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.45
Rot. Bonds4

About 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 114326382) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
PubChem CID114326382
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(Cl)c(NC(=O)c2ccnc(CN)c2)c1
InChIInChI=1S/C14H14ClN3O2/c1-20-11-2-3-12(15)13(7-11)18-14(19)9-4-5-17-10(6-9)8-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyYEQGKOCIJVXWQQ-UHFFFAOYSA-N
XLogP2.45
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3,5-dichloro-N-(2-chloro-5-methoxyphenyl)benzamide
CID 82810855
methyl N-[[4-[(2,4-dimethoxyphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521455
2-(aminomethyl)-N-(3-methoxy-2,4-dimethylphenyl)pyridine-4-carboxamide
CID 114325733
2-(aminomethyl)-N-(5-chloro-2-fluorophenyl)pyridine-4-carboxamide
CID 114325635
N-(2-bromo-5-methoxyphenyl)-2-chloropyridine-4-carboxamide
CID 62415651
3-bromo-N-(2-chloro-5-methoxyphenyl)benzamide
CID 47408337
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
N-(2-amino-5-methoxyphenyl)-4-chloro-3-methylbenzamide
CID 115736440
4-bromo-N-(2-chloro-5-methoxyphenyl)-3-hydroxybenzamide
CID 103956729
N-(2-amino-4-methoxyphenyl)-3,4-dichlorobenzamide
CID 16777237
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-4-chlorobenzoic acid
CID 114326185
2-(aminomethyl)-N-(2-chloro-4-nitrophenyl)pyridine-4-carboxamide
CID 114325780

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide (CID 114326382) is 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(Cl)c(NC(=O)c2ccnc(CN)c2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is YEQGKOCIJVXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-20-11-2-3-12(15)13(7-11)18-14(19)9-4-5-17-10(6-9)8-16/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-chloro-5-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).