4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one

C23H28N2O2 — CID 172659668

IUPAC4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one
SMILESCc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)N1CC=CC1C(C)C
InChIInChI=1S/C23H28N2O2/c1-15(2)18-8-6-9-19(14-18)24-13-11-17(5)21(22(24)26)23(27)25-12-7-10-20(25)16(3)4/h6-11,13-16,20H,12H2,1-5H3
InChIKeyCBPUPOHRWXTLTQ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.31
Rot. Bonds4

About 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one

4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one (PubChem CID 172659668) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one.

Molecular Properties

Compound Name4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one
PubChem CID172659668
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one
SMILESCc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)N1CC=CC1C(C)C
InChIInChI=1S/C23H28N2O2/c1-15(2)18-8-6-9-19(14-18)24-13-11-17(5)21(22(24)26)23(27)25-12-7-10-20(25)16(3)4/h6-11,13-16,20H,12H2,1-5H3
InChIKeyCBPUPOHRWXTLTQ-UHFFFAOYSA-N
XLogP4.31
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-[4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carbonyl]-5-oxopiperazine-2-carboxylate
CID 172666662
4-methyl-3-[4-(2-methylsulfanylethyl)piperazine-1-carbonyl]-1-(3-propan-2-ylphenyl)pyridin-2-one
CID 172668809
3-[(3aR,4R,7aS)-4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-4-methyl-1-(3-propan-2-ylphenyl)pyridin-2-one;hydrochloride
CID 172912565
4-methyl-1-(3-propan-2-ylphenyl)-3-[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridin-2-one
CID 172655760
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-N,4-dimethyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 172662377
4-methyl-1-(3-propan-2-ylphenyl)-3-(2-pyridin-3-ylmorpholine-4-carbonyl)pyridin-2-one
CID 172665946
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-1-(3-propan-2-ylphenyl)pyridin-2-one
CID 172662628
N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide
CID 172666690
4-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 175789879
1-[3-[cyclohexyl(methyl)carbamoyl]phenyl]-4-methyl-2-oxopyridine-3-carboxylic acid
CID 170510576
1,3-di(propan-2-yl)benzene;1,2-di(propan-2-yl)cyclopropane
CID 158171607
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55711817

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one?
The IUPAC name of 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one (CID 172659668) is 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one.
What is the SMILES notation for 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one?
The canonical SMILES for 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one is Cc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)N1CC=CC1C(C)C.
What is the InChIKey of 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one?
The InChIKey is CBPUPOHRWXTLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-15(2)18-8-6-9-19(14-18)24-13-11-17(5)21(22(24)26)23(27)25-12-7-10-20(25)16(3)4/h6-11,13-16,20H,12H2,1-5H3.
What are the key properties of 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one?
4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one has a molecular weight of 364.49 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-propan-2-yl-2,5-dihydropyrrole-1-carbonyl)-1-(3-propan-2-ylphenyl)pyridin-2-one is sourced from PubChem (CID 172659668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).