2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide

C15H16BrN3O — CID 114325937

IUPAC2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H16BrN3O/c1-19(10-12-4-2-3-5-14(12)16)15(20)11-6-7-18-13(8-11)9-17/h2-8H,9-10,17H2,1H3
InChIKeyHWDRNOZRVQQYCJ-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.58
Rot. Bonds4

About 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide

2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide (PubChem CID 114325937) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
PubChem CID114325937
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccccc1Br)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C15H16BrN3O/c1-19(10-12-4-2-3-5-14(12)16)15(20)11-6-7-18-13(8-11)9-17/h2-8H,9-10,17H2,1H3
InChIKeyHWDRNOZRVQQYCJ-UHFFFAOYSA-N
XLogP2.58
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 115116006
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
3-bromo-N-[(2-bromophenyl)methyl]-N,4-dimethylbenzamide
CID 81472236
N-[(2-bromophenyl)methyl]-3,4-dihydroxy-N-methylbenzamide
CID 103955411
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
N-[(2-bromophenyl)methyl]-3-cyano-N-methylbenzamide
CID 34867585
N-[(2-bromophenyl)methyl]-N-methyl-3-propoxybenzamide
CID 55770837
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
N-[(2-bromophenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 32812242
1-[(2-bromophenyl)methyl]-1-methylurea
CID 60703114
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide (CID 114325937) is 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide is CN(Cc1ccccc1Br)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide?
The InChIKey is HWDRNOZRVQQYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-19(10-12-4-2-3-5-14(12)16)15(20)11-6-7-18-13(8-11)9-17/h2-8H,9-10,17H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide?
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 114325937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).