2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide

C13H13BrN4O — CID 114326756

IUPAC2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(CN)c2)ccc1Br
InChIInChI=1S/C13H13BrN4O/c1-8-11(14)2-3-12(17-8)18-13(19)9-4-5-16-10(6-9)7-15/h2-6H,7,15H2,1H3,(H,17,18,19)
InChIKeyDNNGMQWYHAWRAE-UHFFFAOYSA-N
MW321.18 g/mol
LogP2.26
Rot. Bonds3

About 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide (PubChem CID 114326756) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
PubChem CID114326756
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(CN)c2)ccc1Br
InChIInChI=1S/C13H13BrN4O/c1-8-11(14)2-3-12(17-8)18-13(19)9-4-5-16-10(6-9)7-15/h2-6H,7,15H2,1H3,(H,17,18,19)
InChIKeyDNNGMQWYHAWRAE-UHFFFAOYSA-N
XLogP2.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-6-methyl-2-pyridinyl)-2-(methylamino)pyridine-4-carboxamide
CID 79049145
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
N-(5-bromo-6-methyl-2-pyridinyl)-2-(ethylamino)pyridine-4-carboxamide
CID 79049066
N-(5-bromo-6-methyl-2-pyridinyl)-3,4-dichlorobenzamide
CID 4509260
4-bromo-N-(5-bromo-6-methyl-2-pyridinyl)benzamide
CID 4509258
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxy-4-methylbenzamide
CID 79048356
N-(5-bromo-6-methyl-2-pyridinyl)-3-hydroxybenzamide
CID 79049112
2-(aminomethyl)-N-(5-fluoro-2-pyridinyl)pyridine-4-carboxamide
CID 114326701
2-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 83167261
3-bromo-N-(5-bromo-6-methyl-2-pyridinyl)-5-methylbenzamide
CID 113460607
N-(5-bromo-6-methyl-2-pyridinyl)-6-methylpyridine-3-carboxamide
CID 79048580
2-(aminomethyl)-N-(4-iodo-2-methylphenyl)pyridine-4-carboxamide
CID 114325820

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide (CID 114326756) is 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide is Cc1nc(NC(=O)c2ccnc(CN)c2)ccc1Br.
What is the InChIKey of 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide?
The InChIKey is DNNGMQWYHAWRAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-11(14)2-3-12(17-8)18-13(19)9-4-5-16-10(6-9)7-15/h2-6H,7,15H2,1H3,(H,17,18,19).
What are the key properties of 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide has a molecular weight of 321.18 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 114326756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).