5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide

C12H16N6O — CID 61357424

IUPAC5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCCCn1ccnc1
InChIInChI=1S/C12H16N6O/c13-9-6-10(11(14)19)12(17-7-9)16-2-1-4-18-5-3-15-8-18/h3,5-8H,1-2,4,13H2,(H2,14,19)(H,16,17)
InChIKeyIHPQJEBUQOYZAB-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.46
Rot. Bonds6

About 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide

5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide (PubChem CID 61357424) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
PubChem CID61357424
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide
SMILESNC(=O)c1cc(N)cnc1NCCCn1ccnc1
InChIInChI=1S/C12H16N6O/c13-9-6-10(11(14)19)12(17-7-9)16-2-1-4-18-5-3-15-8-18/h3,5-8H,1-2,4,13H2,(H2,14,19)(H,16,17)
InChIKeyIHPQJEBUQOYZAB-UHFFFAOYSA-N
XLogP0.46
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-(3-imidazol-1-ylpropylamino)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

5-amino-2-(2-imidazol-1-ylethylamino)pyridine-3-carboxamide
CID 61358020
5-amino-2-(1-imidazol-1-ylpropan-2-ylamino)pyridine-3-carboxamide
CID 61479644
5-amino-2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]pyridine-3-carboxamide
CID 114536234
5-amino-2-[3-(methanesulfonamido)propylamino]pyridine-3-carboxamide
CID 106333765
4-N,6-N-bis(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19154189
3-amino-5-(3-imidazol-1-ylpropylamino)thiophene-2-carboxamide
CID 103426808
methyl 5-amino-2-(3-imidazol-1-ylpropylamino)benzoate
CID 61306233
5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-[2-(3-hydroxypropylsulfanyl)ethylamino]pyridine-3-carboxamide
CID 106309000
5-amino-2-hydroxy-N-(3-imidazol-1-ylpropyl)benzamide
CID 89368560
3-imidazol-1-ylpropylurea
CID 22179621
5-fluoro-4-N-(4-imidazol-1-ylbutyl)pyrimidine-2,4-diamine
CID 80819497

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide (CID 61357424) is 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide is NC(=O)c1cc(N)cnc1NCCCn1ccnc1.
What is the InChIKey of 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide?
The InChIKey is IHPQJEBUQOYZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c13-9-6-10(11(14)19)12(17-7-9)16-2-1-4-18-5-3-15-8-18/h3,5-8H,1-2,4,13H2,(H2,14,19)(H,16,17).
What are the key properties of 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide?
5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-imidazol-1-ylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 61357424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).