1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile

C25H24N4O2 — CID 172673002

IUPAC1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C25H24N4O2/c1-19-9-13-29(17-20-6-5-12-27-16-20)24(31)22(19)23(30)28-14-10-25(18-26,11-15-28)21-7-3-2-4-8-21/h2-9,12-13,16H,10-11,14-15,17H2,1H3
InChIKeyBFSXSRXCFBXJIF-UHFFFAOYSA-N
MW412.49 g/mol
LogP3.30
Rot. Bonds4

About 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile

1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 172673002) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID172673002
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESCc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1CCC(C#N)(c2ccccc2)CC1
InChIInChI=1S/C25H24N4O2/c1-19-9-13-29(17-20-6-5-12-27-16-20)24(31)22(19)23(30)28-14-10-25(18-26,11-15-28)21-7-3-2-4-8-21/h2-9,12-13,16H,10-11,14-15,17H2,1H3
InChIKeyBFSXSRXCFBXJIF-UHFFFAOYSA-N
XLogP3.30
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-4-methyl-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661390
4-methyl-3-(3-pyridin-2-ylazetidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyridin-2-one
CID 172661996
N-[(1-benzylimidazol-2-yl)methyl]-N,4-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172664117
4-phenyl-1-(3-pyridin-3-ylpropyl)piperidine-4-carbonitrile
CID 91831464
4-methyl-2-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659977
1-(2-methylpyrazole-3-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 74239752
4-phenyl-1-[4-(pyridin-4-ylamino)benzoyl]piperidine-4-carbonitrile
CID 70797802
4-phenyl-1-[(2R)-2-pyrazol-1-ylbutanoyl]piperidine-4-carbonitrile
CID 97140404
4-methyl-N-[4-(2-methylimidazol-1-yl)phenyl]-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 172659920
4-methyl-2-oxo-1-(pyridin-3-ylmethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)pyridine-3-carboxamide
CID 172666114
1-(2,5-dimethyl-1,3-thiazole-4-carbonyl)-4-phenylpiperidine-4-carbonitrile
CID 77095886
4-methyl-2-oxo-1-(2-phenylethyl)-N-pyridin-3-ylpyridine-3-carboxamide
CID 172656157

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile (CID 172673002) is 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile is Cc1ccn(Cc2cccnc2)c(=O)c1C(=O)N1CCC(C#N)(c2ccccc2)CC1.
What is the InChIKey of 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is BFSXSRXCFBXJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-19-9-13-29(17-20-6-5-12-27-16-20)24(31)22(19)23(30)28-14-10-25(18-26,11-15-28)21-7-3-2-4-8-21/h2-9,12-13,16H,10-11,14-15,17H2,1H3.
What are the key properties of 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile?
1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 412.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-oxo-1-(pyridin-3-ylmethyl)pyridine-3-carbonyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 172673002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).