1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

C23H25N5O2 — CID 56525061

IUPAC1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-16-6-10-25-21(14-16)26-22(29)18-7-11-27(12-8-18)20-9-13-28(23(20)30)19-4-2-17(15-24)3-5-19/h2-6,10,14,18,20H,7-9,11-13H2,1H3,(H,25,26,29)
InChIKeyDBBOOUBFRVBTDI-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.72
Rot. Bonds4

About 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide

1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 56525061) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID56525061
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(C3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-16-6-10-25-21(14-16)26-22(29)18-7-11-27(12-8-18)20-9-13-28(23(20)30)19-4-2-17(15-24)3-5-19/h2-6,10,14,18,20H,7-9,11-13H2,1H3,(H,25,26,29)
InChIKeyDBBOOUBFRVBTDI-UHFFFAOYSA-N
XLogP2.72
TPSA89.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyano-2,6-difluorophenyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 47089927
4-[3-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-oxopyrrolidin-1-yl]benzonitrile
CID 86914943
4-[(3S)-2-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-1-yl]benzonitrile
CID 35870212
(3S)-1-(4-chlorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 805098
(3S)-1-(4-fluorophenyl)-N-(4-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 755530
1-(2-methoxy-5-methylbenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55930865
1-[4-(difluoromethylsulfonyl)phenyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55921499
4-[3-(2,6-dimethyl-1-oxo-1,4-thiazinan-4-yl)-2-oxopyrrolidin-1-yl]benzonitrile
CID 132971362
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816590
2-hydroxy-N-(4-methyl-2-pyridinyl)cyclopentane-1-carboxamide
CID 110014122
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(3R)-1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 95777113
1-(2-fluorobenzoyl)-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 17019017

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 56525061) is 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(C3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1.
What is the InChIKey of 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is DBBOOUBFRVBTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-16-6-10-25-21(14-16)26-22(29)18-7-11-27(12-8-18)20-9-13-28(23(20)30)19-4-2-17(15-24)3-5-19/h2-6,10,14,18,20H,7-9,11-13H2,1H3,(H,25,26,29).
What are the key properties of 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide?
1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 56525061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).