1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide

C22H25N5O3 — CID 167829502

IUPAC1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C22H25N5O3/c1-14-17(15(2)25-22(30)18(14)13-23)6-7-20(28)27-11-8-16(9-12-27)21(29)26-19-5-3-4-10-24-19/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,25,30)(H,24,26,29)
InChIKeyCBHJEZRCXSMHKR-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.07
Rot. Bonds5

About 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide

1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 167829502) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID167829502
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccccn2)CC1
InChIInChI=1S/C22H25N5O3/c1-14-17(15(2)25-22(30)18(14)13-23)6-7-20(28)27-11-8-16(9-12-27)21(29)26-19-5-3-4-10-24-19/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,25,30)(H,24,26,29)
InChIKeyCBHJEZRCXSMHKR-UHFFFAOYSA-N
XLogP2.07
TPSA118.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

5-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 46559612
5-[3-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 27799950
5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 46664173
4,6-dimethyl-5-[3-[(3S)-3-methylpiperidin-1-yl]-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 41143827
3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 55483862
5-[3-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 25345208
5-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 9268152
1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246626
5-[3-[(3S,4R)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-oxopropyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
CID 97001515
1-[2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55970040
4,6-dimethyl-5-[3-(2-methylpiperazin-1-yl)-3-oxopropyl]-2-oxo-1H-pyridine-3-carbonitrile;hydrochloride
CID 119260202
N-(4-methyl-2-pyridinyl)-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46411285

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide (CID 167829502) is 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide is Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(C(=O)Nc2ccccn2)CC1.
What is the InChIKey of 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is CBHJEZRCXSMHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-17(15(2)25-22(30)18(14)13-23)6-7-20(28)27-11-8-16(9-12-27)21(29)26-19-5-3-4-10-24-19/h3-5,10,16H,6-9,11-12H2,1-2H3,(H,25,30)(H,24,26,29).
What are the key properties of 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide?
1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanoyl]-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 167829502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).