2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide

C13H16N4O — CID 115116006

IUPAC2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H16N4O/c1-17(9-11-3-2-5-15-11)13(18)10-4-6-16-12(7-10)8-14/h2-7,15H,8-9,14H2,1H3
InChIKeyUSXHICCQKJWBRC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.14
Rot. Bonds4

About 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 115116006) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
PubChem CID115116006
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C13H16N4O/c1-17(9-11-3-2-5-15-11)13(18)10-4-6-16-12(7-10)8-14/h2-7,15H,8-9,14H2,1H3
InChIKeyUSXHICCQKJWBRC-UHFFFAOYSA-N
XLogP1.14
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
CID 115116311
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937
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
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-dipropylpyridine-4-carboxamide
CID 113277709
4-[[2-(aminomethyl)pyridine-4-carbonyl]-methylamino]benzoic acid
CID 104698663
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide (CID 115116006) is 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide is CN(Cc1ccc[nH]1)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is USXHICCQKJWBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(9-11-3-2-5-15-11)13(18)10-4-6-16-12(7-10)8-14/h2-7,15H,8-9,14H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).