N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide

C15H26N4O — CID 109165408

IUPACN-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCCCN(C)C)c1
InChIInChI=1S/C15H26N4O/c1-4-5-8-18-15(20)13-7-10-17-14(12-13)16-9-6-11-19(2)3/h7,10,12H,4-6,8-9,11H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyGWDHSUXJCLNNEN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.98
Rot. Bonds9

About N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide

N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide (PubChem CID 109165408) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
PubChem CID109165408
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC NameN-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCCCN(C)C)c1
InChIInChI=1S/C15H26N4O/c1-4-5-8-18-15(20)13-7-10-17-14(12-13)16-9-6-11-19(2)3/h7,10,12H,4-6,8-9,11H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyGWDHSUXJCLNNEN-UHFFFAOYSA-N
XLogP1.98
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2-[3-(dimethylamino)propylamino]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-[3-(dimethylamino)propyl]-2-(propylamino)pyridine-4-carboxamide
CID 55042326
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109167778
N-butyl-2-(propylamino)pyridine-4-carboxamide
CID 62185279
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
CID 109165269
4-N-[3-(dimethylamino)propyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109083911
N-[3-(dimethylamino)propyl]-2-[(4-methylphenyl)methylamino]pyridine-4-carboxamide
CID 109168152
2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165522
N-(4-acetamidophenyl)-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide
CID 109168419
2-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167907
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
N-[2-(diethylamino)ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62173284

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide?
The IUPAC name of N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide (CID 109165408) is N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide?
The canonical SMILES for N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide is CCCCNC(=O)c1ccnc(NCCCN(C)C)c1.
What is the InChIKey of N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide?
The InChIKey is GWDHSUXJCLNNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-5-8-18-15(20)13-7-10-17-14(12-13)16-9-6-11-19(2)3/h7,10,12H,4-6,8-9,11H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide?
N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-(dimethylamino)propylamino]pyridine-4-carboxamide is sourced from PubChem (CID 109165408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).