6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one

C27H31N3O2 — CID 42483316

IUPAC6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC[C@H](C)C2)c(CCc2ccccc2)n1Cc1ccccn1
InChIInChI=1S/C27H31N3O2/c1-20-9-8-16-29(18-20)27(32)26-24(14-13-22-10-4-3-5-11-22)30(21(2)17-25(26)31)19-23-12-6-7-15-28-23/h3-7,10-12,15,17,20H,8-9,13-14,16,18-19H2,1-2H3/t20-/m0/s1
InChIKeyROCMZJBVJUNWIS-FQEVSTJZSA-N
MW429.56 g/mol
LogP4.26
Rot. Bonds6

About 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one

6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one (PubChem CID 42483316) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one
PubChem CID42483316
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC[C@H](C)C2)c(CCc2ccccc2)n1Cc1ccccn1
InChIInChI=1S/C27H31N3O2/c1-20-9-8-16-29(18-20)27(32)26-24(14-13-22-10-4-3-5-11-22)30(21(2)17-25(26)31)19-23-12-6-7-15-28-23/h3-7,10-12,15,17,20H,8-9,13-14,16,18-19H2,1-2H3/t20-/m0/s1
InChIKeyROCMZJBVJUNWIS-FQEVSTJZSA-N
XLogP4.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one with MolForge

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Related Compounds

6-methyl-4-oxo-2-(2-phenylethyl)-N-propan-2-yl-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42472455
N-ethyl-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 26337612
6-methyl-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]-4-oxo-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 45235668
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
N-cyclooctyl-5-[(3R)-3-methylpiperidine-1-carbonyl]-4-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 42449631
(3-methylpiperidin-1-yl)-[4-methyl-2-(2-pyridin-2-ylethyl)-1,3-thiazol-5-yl]methanone
CID 110389338
[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]-(3-methylpiperazin-1-yl)methanone
CID 119578814
(2S)-1-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119365218
[3-(aminomethyl)pyrrolidin-1-yl]-[2,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrol-3-yl]methanone
CID 119485504
[4-[benzyl(methyl)amino]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109211045
(1-benzyl-2,5-dimethylpyrrol-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575161
(5-methyl-1,2-oxazol-3-yl)-[3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72899366

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one?
The IUPAC name of 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one (CID 42483316) is 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one.
What is the SMILES notation for 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one?
The canonical SMILES for 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCC[C@H](C)C2)c(CCc2ccccc2)n1Cc1ccccn1.
What is the InChIKey of 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one?
The InChIKey is ROCMZJBVJUNWIS-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-20-9-8-16-29(18-20)27(32)26-24(14-13-22-10-4-3-5-11-22)30(21(2)17-25(26)31)19-23-12-6-7-15-28-23/h3-7,10-12,15,17,20H,8-9,13-14,16,18-19H2,1-2H3/t20-/m0/s1.
What are the key properties of 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one?
6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one has a molecular weight of 429.56 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-[(3S)-3-methylpiperidine-1-carbonyl]-2-(2-phenylethyl)-1-(pyridin-2-ylmethyl)pyridin-4-one is sourced from PubChem (CID 42483316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).