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

C14H18N4O — CID 115116311

IUPAC2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)c1ccnc(CCN)c1
InChIInChI=1S/C14H18N4O/c1-18(10-13-3-2-7-16-13)14(19)11-5-8-17-12(9-11)4-6-15/h2-3,5,7-9,16H,4,6,10,15H2,1H3
InChIKeyGIVHHMVPNZJKRD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.18
Rot. Bonds5

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

2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide (PubChem CID 115116311) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
PubChem CID115116311
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide
SMILESCN(Cc1ccc[nH]1)C(=O)c1ccnc(CCN)c1
InChIInChI=1S/C14H18N4O/c1-18(10-13-3-2-7-16-13)14(19)11-5-8-17-12(9-11)4-6-15/h2-3,5,7-9,16H,4,6,10,15H2,1H3
InChIKeyGIVHHMVPNZJKRD-UHFFFAOYSA-N
XLogP1.18
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-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-(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
2-(aminomethyl)-N-[(2-bromophenyl)methyl]-N-methylpyridine-4-carboxamide
CID 114325937
2-(2-aminoethyl)-N-(2-cyclobutylethyl)-N-methylpyridine-4-carboxamide
CID 115116324
2-(aminomethyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]pyridine-4-carboxamide
CID 114325943
2-fluoro-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 63929110
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
N-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpyridine-4-carboxamide
CID 106752310
2-(aminomethyl)-N-methyl-N-(2-methylbutyl)pyridine-4-carboxamide
CID 114325623
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
2-(aminomethyl)-N-methoxy-N-methylpyridine-4-carboxamide
CID 114326324
2-hydrazinyl-N-(1H-imidazol-2-ylmethyl)-N-methylpyridine-4-carboxamide
CID 64519698

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide (CID 115116311) is 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide is CN(Cc1ccc[nH]1)C(=O)c1ccnc(CCN)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide?
The InChIKey is GIVHHMVPNZJKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-18(10-13-3-2-7-16-13)14(19)11-5-8-17-12(9-11)4-6-15/h2-3,5,7-9,16H,4,6,10,15H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide?
2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-methyl-N-(1H-pyrrol-2-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 115116311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).