2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide

C12H16N4O2 — CID 113277733

IUPAC2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCC(=O)NC2CC2)ccn1
InChIInChI=1S/C12H16N4O2/c13-6-10-5-8(3-4-14-10)12(18)15-7-11(17)16-9-1-2-9/h3-5,9H,1-2,6-7,13H2,(H,15,18)(H,16,17)
InChIKeyOHMRALHCXKLZHO-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.45
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide

2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 113277733) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID113277733
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESNCc1cc(C(=O)NCC(=O)NC2CC2)ccn1
InChIInChI=1S/C12H16N4O2/c13-6-10-5-8(3-4-14-10)12(18)15-7-11(17)16-9-1-2-9/h3-5,9H,1-2,6-7,13H2,(H,15,18)(H,16,17)
InChIKeyOHMRALHCXKLZHO-UHFFFAOYSA-N
XLogP-0.45
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]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

N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 47172514
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(2-cyclopropyl-2-hydroxyethyl)pyridine-4-carboxamide
CID 114326553
N-[2-(cyclopropylamino)-2-oxoethyl]-4-hydrazinylpyridine-2-carboxamide
CID 62243783
3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 62592616
2-(aminomethyl)-N-cyclohex-3-en-1-ylpyridine-4-carboxamide
CID 113277885
3-(2-aminoethoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 118793810
3-carbamothioyl-N-[2-(cyclopropylamino)-2-oxoethyl]benzamide
CID 43568522
2-(aminomethyl)-N-(3-methylcyclohexyl)pyridine-4-carboxamide
CID 114325626
2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 114326665
2-(aminomethyl)-N-[(1,1-dioxothiolan-3-yl)methyl]pyridine-4-carboxamide
CID 114326143
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 113277733) is 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide is NCc1cc(C(=O)NCC(=O)NC2CC2)ccn1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is OHMRALHCXKLZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c13-6-10-5-8(3-4-14-10)12(18)15-7-11(17)16-9-1-2-9/h3-5,9H,1-2,6-7,13H2,(H,15,18)(H,16,17).
What are the key properties of 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 113277733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).