6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one

C29H35N3O3 — CID 139576720

IUPAC6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c(O)c1N(CCC)c1ccccc1
InChIInChI=1S/C29H35N3O3/c1-3-5-16-24-26(32(18-4-2)23-14-10-7-11-15-23)27(33)25(28(34)30-24)29(35)31-19-17-22(20-31)21-12-8-6-9-13-21/h6-15,22H,3-5,16-20H2,1-2H3,(H2,30,33,34)/t22-/m1/s1
InChIKeyHMOJLBPDTHBIMK-JOCHJYFZSA-N
MW473.62 g/mol
LogP5.60
Rot. Bonds9

About 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one

6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one (PubChem CID 139576720) has the molecular formula C29H35N3O3 and a molecular weight of 473.62 g/mol. Its IUPAC name is 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one
PubChem CID139576720
Molecular FormulaC29H35N3O3
Molecular Weight473.62 g/mol
Exact Mass473.27
IUPAC Name6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c(O)c1N(CCC)c1ccccc1
InChIInChI=1S/C29H35N3O3/c1-3-5-16-24-26(32(18-4-2)23-14-10-7-11-15-23)27(33)25(28(34)30-24)29(35)31-19-17-22(20-31)21-12-8-6-9-13-21/h6-15,22H,3-5,16-20H2,1-2H3,(H2,30,33,34)/t22-/m1/s1
InChIKeyHMOJLBPDTHBIMK-JOCHJYFZSA-N
XLogP5.60
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-butyl-5-(N-ethylanilino)-3-[3-(2-fluorophenyl)pyrrolidine-1-carbonyl]-4-hydroxy-1H-pyridin-2-one
CID 139557830
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-(4-phenylpiperidine-1-carbonyl)-1H-pyridin-2-one
CID 129032325
3,4-dimethyl-5-(3-phenylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 154857691
2-butyl-6-hydroxy-3-[(1R)-1-phenylethyl]-5-[(3S)-3-phenylpyrrolidine-1-carbonyl]pyrimidin-4-one
CID 137198073
6-butyl-3-[4-(3-chlorophenyl)piperidine-1-carbonyl]-5-(2,6-dimethoxyphenyl)-4-hydroxy-1H-pyridin-2-one
CID 129032002
6-butyl-4-hydroxy-5-(2-methoxy-6-methylphenyl)-3-[(3S)-3-phenylmethoxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 162253883
6-butyl-3-[3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-4-hydroxy-5-(3-propan-2-ylphenyl)-1H-pyridin-2-one
CID 129032171
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(3-phenylpyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-1,3-diazepin-2-yl)methanone
CID 91902392
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]pentanamide
CID 43903944
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-(1-phenylethenyl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 145296579
6-butyl-5-(2,6-dimethoxyphenyl)-4-hydroxy-3-[4-[C-methyl-N-(2-methylphenyl)carbonimidoyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 146342670

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one?
The IUPAC name of 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one (CID 139576720) is 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C(=O)N2CC[C@@H](c3ccccc3)C2)c(O)c1N(CCC)c1ccccc1.
What is the InChIKey of 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one?
The InChIKey is HMOJLBPDTHBIMK-JOCHJYFZSA-N. The full InChI is InChI=1S/C29H35N3O3/c1-3-5-16-24-26(32(18-4-2)23-14-10-7-11-15-23)27(33)25(28(34)30-24)29(35)31-19-17-22(20-31)21-12-8-6-9-13-21/h6-15,22H,3-5,16-20H2,1-2H3,(H2,30,33,34)/t22-/m1/s1.
What are the key properties of 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one?
6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one has a molecular weight of 473.62 g/mol, XLogP of 5.60, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4-hydroxy-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]-5-(N-propylanilino)-1H-pyridin-2-one is sourced from PubChem (CID 139576720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).