2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

C11H18N4O — CID 29033562

IUPAC2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ncccc1C(N)=O
InChIInChI=1S/C11H18N4O/c1-15(2)8-4-7-14-11-9(10(12)16)5-3-6-13-11/h3,5-6H,4,7-8H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyIVSHUWSCKBPBFX-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.54
Rot. Bonds6

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

2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (PubChem CID 29033562) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
PubChem CID29033562
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1ncccc1C(N)=O
InChIInChI=1S/C11H18N4O/c1-15(2)8-4-7-14-11-9(10(12)16)5-3-6-13-11/h3,5-6H,4,7-8H2,1-2H3,(H2,12,16)(H,13,14)
InChIKeyIVSHUWSCKBPBFX-UHFFFAOYSA-N
XLogP0.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(dimethylamino)propylamino]pyridine-3-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-(butylamino)pyridine-3-carboxamide
CID 29031037
2-(4-aminobutylamino)pyridine-3-carboxamide
CID 54122437
2-[[3-(dimethylamino)-3-oxopropyl]amino]pyridine-3-carboxamide
CID 54934775
2-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-3-carboxamide
CID 62977992
2-[3-(2-hydroxyethoxy)propylamino]pyridine-3-carboxamide
CID 113362577
N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxamide
CID 43311020
3-[3-(dimethylamino)propylamino]pyrazine-2-carbothioamide
CID 62684277
2-(3-aminobutylamino)pyridine-3-carboxamide
CID 63251486
2-[2-(methylsulfamoyl)ethylamino]pyridine-3-carboxamide
CID 106337875
1-[2-(butylamino)-3-pyridinyl]pentan-1-one
CID 139998129
2-[[3-oxo-3-(propylamino)propyl]amino]pyridine-3-carboxamide
CID 61064041

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (CID 29033562) is 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is CN(C)CCCNc1ncccc1C(N)=O.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The InChIKey is IVSHUWSCKBPBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15(2)8-4-7-14-11-9(10(12)16)5-3-6-13-11/h3,5-6H,4,7-8H2,1-2H3,(H2,12,16)(H,13,14).
What are the key properties of 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 29033562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).