1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide

C19H24N4O3S — CID 155946088

IUPAC1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)N(C3CC3)C3CCS(=O)(=O)C3)CC2)nc1
InChIInChI=1S/C19H24N4O3S/c20-11-14-1-4-18(21-12-14)22-8-5-15(6-9-22)19(24)23(16-2-3-16)17-7-10-27(25,26)13-17/h1,4,12,15-17H,2-3,5-10,13H2
InChIKeyPSMLXMBRMNHKNC-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.35
Rot. Bonds4

About 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide

1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide (PubChem CID 155946088) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
PubChem CID155946088
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)N(C3CC3)C3CCS(=O)(=O)C3)CC2)nc1
InChIInChI=1S/C19H24N4O3S/c20-11-14-1-4-18(21-12-14)22-8-5-15(6-9-22)19(24)23(16-2-3-16)17-7-10-27(25,26)13-17/h1,4,12,15-17H,2-3,5-10,13H2
InChIKeyPSMLXMBRMNHKNC-UHFFFAOYSA-N
XLogP1.35
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-4-carboxamide
CID 51300981
N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335504
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-(4-benzoylpiperidin-1-yl)pyridine-3-carbonitrile
CID 26035276
1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 47137770
N-[(3-bromophenyl)methyl]-1-(5-cyano-2-pyridinyl)-N-cyclopropylpiperidine-4-carboxamide
CID 30840445
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 43430337
1-(5-cyano-2-pyridinyl)-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 46525465
6-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602459
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
1-(5-cyano-2-pyridinyl)-N-[4-(methylamino)cyclohexyl]piperidine-4-carboxamide
CID 166298734
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide (CID 155946088) is 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)N(C3CC3)C3CCS(=O)(=O)C3)CC2)nc1.
What is the InChIKey of 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
The InChIKey is PSMLXMBRMNHKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c20-11-14-1-4-18(21-12-14)22-8-5-15(6-9-22)19(24)23(16-2-3-16)17-7-10-27(25,26)13-17/h1,4,12,15-17H,2-3,5-10,13H2.
What are the key properties of 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide?
1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-2-pyridinyl)-N-cyclopropyl-N-(1,1-dioxothiolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 155946088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).