2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide

C12H20N4O — CID 114326834

IUPAC2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
SMILESCNCCCN(C)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H20N4O/c1-14-5-3-7-16(2)12(17)10-4-6-15-11(8-10)9-13/h4,6,8,14H,3,5,7,9,13H2,1-2H3
InChIKeyGRDBFDRGBIVIBN-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.22
Rot. Bonds6

About 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide

2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide (PubChem CID 114326834) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
PubChem CID114326834
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide
SMILESCNCCCN(C)C(=O)c1ccnc(CN)c1
InChIInChI=1S/C12H20N4O/c1-14-5-3-7-16(2)12(17)10-4-6-15-11(8-10)9-13/h4,6,8,14H,3,5,7,9,13H2,1-2H3
InChIKeyGRDBFDRGBIVIBN-UHFFFAOYSA-N
XLogP0.22
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]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-methyl-N-[2-(methylamino)ethyl]pyridine-4-carboxamide
CID 103885127
2-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 114325571
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,N-dipropylpyridine-4-carboxamide
CID 113277709
4-hydroxy-N,3-dimethyl-N-[3-(methylamino)propyl]benzamide
CID 107672200
N-(2-aminoethyl)-2-(aminomethyl)pyridine-4-carboxamide
CID 114326296
2-(aminomethyl)-N-(3-hydroxypropyl)-N-propan-2-ylpyridine-4-carboxamide
CID 114326149
2-(aminomethyl)-N-(cyclopentylmethyl)-N-methylpyridine-4-carboxamide
CID 114326567
2-fluoro-N-(5-hydroxypentyl)-N-methylpyridine-4-carboxamide
CID 107199083
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
CID 166591494
6-bromo-N-methyl-N-[3-(methylamino)propyl]naphthalene-2-carboxamide
CID 115353690

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide (CID 114326834) is 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide is CNCCCN(C)C(=O)c1ccnc(CN)c1.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide?
The InChIKey is GRDBFDRGBIVIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-14-5-3-7-16(2)12(17)10-4-6-15-11(8-10)9-13/h4,6,8,14H,3,5,7,9,13H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide?
2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[3-(methylamino)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 114326834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).