2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide

C12H14N4O — CID 106384825

IUPAC2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2cc[nH]c2)ccn1
InChIInChI=1S/C12H14N4O/c13-6-11-5-10(2-4-15-11)12(17)16-8-9-1-3-14-7-9/h1-5,7,14H,6,8,13H2,(H,16,17)
InChIKeyUHNRXWATMXJARS-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.80
Rot. Bonds4

About 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide

2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 106384825) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
PubChem CID106384825
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCc2cc[nH]c2)ccn1
InChIInChI=1S/C12H14N4O/c13-6-11-5-10(2-4-15-11)12(17)16-8-9-1-3-14-7-9/h1-5,7,14H,6,8,13H2,(H,16,17)
InChIKeyUHNRXWATMXJARS-UHFFFAOYSA-N
XLogP0.80
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 106384629
2-(aminomethyl)-N-[(3-bromophenyl)methyl]pyridine-4-carboxamide
CID 114326336
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113277765
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282
3-amino-4-bromo-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 106384894
2-(aminomethyl)-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 112522093
2-(aminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 113277766
6-methyl-N-(1H-pyrrol-3-ylmethyl)pyridine-3-carboxamide
CID 106385210
2-(2-aminoethyl)-N-(1H-pyrrol-3-yl)pyridine-4-carboxamide
CID 115116257
2-(aminomethyl)-N-[(2,4-difluorophenyl)methyl]pyridine-4-carboxamide
CID 114326448
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide
CID 141255917

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide (CID 106384825) is 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide is NCc1cc(C(=O)NCc2cc[nH]c2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is UHNRXWATMXJARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-6-11-5-10(2-4-15-11)12(17)16-8-9-1-3-14-7-9/h1-5,7,14H,6,8,13H2,(H,16,17).
What are the key properties of 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide?
2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(1H-pyrrol-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106384825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).