2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide

C13H17N5O2 — CID 43600464

IUPAC2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCCNCc1cccnc1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c19-12(11-9-17-13(20)18-11)16-6-2-5-15-8-10-3-1-4-14-7-10/h1,3-4,7,9,15H,2,5-6,8H2,(H,16,19)(H2,17,18,20)
InChIKeyQVRSZXLEPJFQOS-UHFFFAOYSA-N
MW275.31 g/mol
LogP0.01
Rot. Bonds7

About 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide

2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide (PubChem CID 43600464) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide
PubChem CID43600464
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide
SMILESO=C(NCCCNCc1cccnc1)c1c[nH]c(=O)[nH]1
InChIInChI=1S/C13H17N5O2/c19-12(11-9-17-13(20)18-11)16-6-2-5-15-8-10-3-1-4-14-7-10/h1,3-4,7,9,15H,2,5-6,8H2,(H,16,19)(H2,17,18,20)
InChIKeyQVRSZXLEPJFQOS-UHFFFAOYSA-N
XLogP0.01
TPSA102.67 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-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-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 43600549
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide
CID 86779907
6-chloro-N-[3-(pyridin-3-ylmethylamino)propyl]pyridine-2-carboxamide;hydrochloride
CID 86779906
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 43600591
2-fluoro-3-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide;hydrochloride
CID 86779912
4-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]-1,2-oxazole-5-carboxamide
CID 66335871
N-[3-(pyridin-3-ylmethylamino)propyl]pentanamide
CID 43600569
2,5-dimethyl-N-[3-(pyridin-3-ylmethylamino)propyl]pyrazole-3-carboxamide
CID 66126278
3-fluoro-5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]benzamide
CID 86779903
N-[3-[(3-ethylphenyl)methylamino]propyl]pyridine-3-carboxamide
CID 142242395
N-[3-(pyridin-3-ylmethylamino)propyl]octanamide
CID 43600563
N-[3-[4-[3-[[4-oxo-4-(pyridin-3-ylmethylamino)butanoyl]amino]propylamino]butylamino]propyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 164614008

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide (CID 43600464) is 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide is O=C(NCCCNCc1cccnc1)c1c[nH]c(=O)[nH]1.
What is the InChIKey of 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide?
The InChIKey is QVRSZXLEPJFQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c19-12(11-9-17-13(20)18-11)16-6-2-5-15-8-10-3-1-4-14-7-10/h1,3-4,7,9,15H,2,5-6,8H2,(H,16,19)(H2,17,18,20).
What are the key properties of 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide?
2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.01, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(pyridin-3-ylmethylamino)propyl]-1,3-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 43600464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).