3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide

C13H16N4O2 — CID 84577763

IUPAC3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide
SMILESCc1[nH]c(=O)n(CCC(=O)Nc2ccccn2)c1C
InChIInChI=1S/C13H16N4O2/c1-9-10(2)17(13(19)15-9)8-6-12(18)16-11-5-3-4-7-14-11/h3-5,7H,6,8H2,1-2H3,(H,15,19)(H,14,16,18)
InChIKeyHATFRLRWTXOEEK-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.22
Rot. Bonds4

About 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide

3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide (PubChem CID 84577763) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide
PubChem CID84577763
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide
SMILESCc1[nH]c(=O)n(CCC(=O)Nc2ccccn2)c1C
InChIInChI=1S/C13H16N4O2/c1-9-10(2)17(13(19)15-9)8-6-12(18)16-11-5-3-4-7-14-11/h3-5,7H,6,8H2,1-2H3,(H,15,19)(H,14,16,18)
InChIKeyHATFRLRWTXOEEK-UHFFFAOYSA-N
XLogP1.22
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 112524744
N-(2,6-difluorophenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
CID 84578083
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
N-(3-acetylphenyl)-3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)propanamide
CID 84577861
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indol-4-yl)propanamide
CID 112526320
3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-pyridin-2-ylpropanamide
CID 35035254
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-(1H-indazol-6-yl)propanamide
CID 84577900
N-pyridin-2-yl-3-pyrrolidin-1-ylpropanamide
CID 110688245
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
3-[(1R,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-pyridin-2-ylpropanamide
CID 98304556
3-(3-methyl-2,6-dioxo-7H-purin-8-yl)-N-pyridin-2-ylpropanamide
CID 47840262

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide (CID 84577763) is 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide is Cc1[nH]c(=O)n(CCC(=O)Nc2ccccn2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide?
The InChIKey is HATFRLRWTXOEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-10(2)17(13(19)15-9)8-6-12(18)16-11-5-3-4-7-14-11/h3-5,7H,6,8H2,1-2H3,(H,15,19)(H,14,16,18).
What are the key properties of 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide?
3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide has a molecular weight of 260.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-2-oxo-1H-imidazol-3-yl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 84577763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).