2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide

C14H14BrN3O2 — CID 114326705

IUPAC2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(CN)c2)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-20-13-3-2-10(7-12(13)15)18-14(19)9-4-5-17-11(6-9)8-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyMPQMHLABSSNLMW-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.56
Rot. Bonds4

About 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 114326705) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID114326705
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(CN)c2)cc1Br
InChIInChI=1S/C14H14BrN3O2/c1-20-13-3-2-10(7-12(13)15)18-14(19)9-4-5-17-11(6-9)8-16/h2-7H,8,16H2,1H3,(H,18,19)
InChIKeyMPQMHLABSSNLMW-UHFFFAOYSA-N
XLogP2.56
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 114325849
N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide
CID 110776808
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
2-(aminomethyl)-N-(4-carbamoylphenyl)pyridine-4-carboxamide
CID 114325508
N-(4-bromo-3-methoxyphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 82860502
2-(aminomethyl)-N-(4-methylsulfanylphenyl)pyridine-4-carboxamide
CID 114325497
N-(3-bromo-4-methoxyphenyl)-3-chloro-4-methoxybenzamide
CID 3529705
N-(4-bromo-3-methoxyphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 82859455
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
3-bromo-N-(4-bromo-3-methylphenyl)-4-methoxybenzamide
CID 3493450
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 114326756

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide (CID 114326705) is 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(CN)c2)cc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is MPQMHLABSSNLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-20-13-3-2-10(7-12(13)15)18-14(19)9-4-5-17-11(6-9)8-16/h2-7H,8,16H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-bromo-4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).