1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

C20H22N2O2 — CID 17396869

IUPAC1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CC=C(c3ccccc3)CC2)c1C
InChIInChI=1S/C20H22N2O2/c1-13-18(15(3)23)14(2)21-19(13)20(24)22-11-9-17(10-12-22)16-7-5-4-6-8-16/h4-9,21H,10-12H2,1-3H3
InChIKeyFHFJAENUVCEREM-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.76
Rot. Bonds3

About 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone

1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (PubChem CID 17396869) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
PubChem CID17396869
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CC=C(c3ccccc3)CC2)c1C
InChIInChI=1S/C20H22N2O2/c1-13-18(15(3)23)14(2)21-19(13)20(24)22-11-9-17(10-12-22)16-7-5-4-6-8-16/h4-9,21H,10-12H2,1-3H3
InChIKeyFHFJAENUVCEREM-UHFFFAOYSA-N
XLogP3.76
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone with MolForge

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Related Compounds

1-[5-(4-benzoylpiperazine-1-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 4800505
1-[2,4-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391426
1-[2,4-dimethyl-5-(4-phenoxypiperidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 47071181
2,4-dimethyl-5-(3-phenyl-2,5-dihydropyrrole-1-carbonyl)-1H-pyrrole-3-sulfonamide
CID 166205095
1-[2,4-dimethyl-5-(1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 146123223
1-[2,4-dimethyl-5-[4-(5-methylthiophene-2-carbonyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 47067621
1-[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 17414454
1-[5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 17465401
methyl 2,4-dimethyl-5-[(2S)-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propanoyl]-1H-pyrrole-3-carboxylate
CID 8513144
(3,5-dimethyl-1H-indol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167920201
(3-methylsulfonylphenyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38295435
1-[2,4-dimethyl-5-[(2S,6S)-2-methyl-6-phenylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 94812298

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone (CID 17396869) is 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2CC=C(c3ccccc3)CC2)c1C.
What is the InChIKey of 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
The InChIKey is FHFJAENUVCEREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-18(15(3)23)14(2)21-19(13)20(24)22-11-9-17(10-12-22)16-7-5-4-6-8-16/h4-9,21H,10-12H2,1-3H3.
What are the key properties of 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone?
1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone has a molecular weight of 322.41 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-5-(4-phenyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 17396869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).