N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide

C13H16N4O2 — CID 56707322

IUPACN-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N4O2/c1-2-11(8-17-6-5-14-9-17)16-13(19)10-3-4-12(18)15-7-10/h3-7,9,11H,2,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyGTOFZHLPRJLSTF-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.78
Rot. Bonds5

About N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide

N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 56707322) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
PubChem CID56707322
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide
SMILESCCC(Cn1ccnc1)NC(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16N4O2/c1-2-11(8-17-6-5-14-9-17)16-13(19)10-3-4-12(18)15-7-10/h3-7,9,11H,2,8H2,1H3,(H,15,18)(H,16,19)
InChIKeyGTOFZHLPRJLSTF-UHFFFAOYSA-N
XLogP0.78
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-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

N-cyclohexyl[1-(3-imidazolylpropyl)-2-imino-10-methyl-5-oxo(1,6-dihydropyridin o[2,3-d]pyridino[1,2-a]pyrimidin-3-yl)]carboxamide
CID 4134273
N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-2-[(E)-1-iminobut-2-en-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 155525326
5-(1H-imidazol-2-yl)-1,3-dimethyl-2(1h)-pyridinone
CID 134306034
1,3-Dimethyl-5-[1-(2-methylpropyl)imidazol-2-yl]pyridin-2-one
CID 134306039
1,3-Dimethyl-5-[1-(piperidin-4-ylmethyl)imidazol-2-yl]pyridin-2-one
CID 134306163
5-ethyl-N-(3-imidazol-1-ylpropyl)-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 44271288
5-chloro-2-hydroxy-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]nicotinamide
CID 56722552
4-[3-(2-Ethylimidazol-1-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 56779745
3-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 56822586
6-methyl-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 72047209
1-Methyl-4-[3-(2-propan-2-ylimidazol-1-yl)piperidine-1-carbonyl]pyridin-2-one
CID 72143158
5-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 72144088

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide (CID 56707322) is N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide is CCC(Cn1ccnc1)NC(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GTOFZHLPRJLSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-11(8-17-6-5-14-9-17)16-13(19)10-3-4-12(18)15-7-10/h3-7,9,11H,2,8H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide?
N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylbutan-2-yl)-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56707322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).