2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

C16H19N3O — CID 114325571

IUPAC2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C16H19N3O/c1-12-3-5-13(6-4-12)11-19(2)16(20)14-7-8-18-15(9-14)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyBVWMZRHUVHJPHS-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.12
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide

2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (PubChem CID 114325571) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
PubChem CID114325571
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2ccnc(CN)c2)cc1
InChIInChI=1S/C16H19N3O/c1-12-3-5-13(6-4-12)11-19(2)16(20)14-7-8-18-15(9-14)10-17/h3-9H,10-11,17H2,1-2H3
InChIKeyBVWMZRHUVHJPHS-UHFFFAOYSA-N
XLogP2.12
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide
CID 106752310
N-methyl-2-(methylamino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 62170882
2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 115116006
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937
[4-[[methyl-[(4-methylphenyl)methyl]amino]methyl]-2-pyridinyl]methanamine
CID 63887247
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
CID 114326834
2-(aminomethyl)-N,N-bis(prop-2-enyl)pyridine-4-carboxamide
CID 114325556

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide (CID 114325571) is 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is Cc1ccc(CN(C)C(=O)c2ccnc(CN)c2)cc1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
The InChIKey is BVWMZRHUVHJPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-12-3-5-13(6-4-12)11-19(2)16(20)14-7-8-18-15(9-14)10-17/h3-9H,10-11,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 114325571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).