(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide

C16H20N4O3S — CID 125444340

IUPAC(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
SMILESN#Cc1cccnc1N1CCC(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H20N4O3S/c17-10-12-2-1-6-18-15(12)20-7-3-14(4-8-20)19-16(21)13-5-9-24(22,23)11-13/h1-2,6,13-14H,3-5,7-9,11H2,(H,19,21)/t13-/m0/s1
InChIKeyGGRXGWNLJAJFNK-ZDUSSCGKSA-N
MW348.43 g/mol
LogP0.47
Rot. Bonds3

About (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide

(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 125444340) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
PubChem CID125444340
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
SMILESN#Cc1cccnc1N1CCC(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C16H20N4O3S/c17-10-12-2-1-6-18-15(12)20-7-3-14(4-8-20)19-16(21)13-5-9-24(22,23)11-13/h1-2,6,13-14H,3-5,7-9,11H2,(H,19,21)/t13-/m0/s1
InChIKeyGGRXGWNLJAJFNK-ZDUSSCGKSA-N
XLogP0.47
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide with MolForge

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Related Compounds

(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490147
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993643
3-chloro-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-4-pyrrolidin-1-ylbenzamide
CID 131934591
N-[[1-(3-cyano-2-pyridinyl)piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 121108857
N-(2-cyanophenyl)-1,1-dioxothiolane-3-carboxamide
CID 60674718
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-cyclopentylpropanamide
CID 134031843
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 91796252
1-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-3-(2-cyclopentylpyrazol-3-yl)urea
CID 118793902
2-[4-(cyclopropylmethylamino)piperidin-1-yl]pyridine-3-carbonitrile
CID 115307500
2-[3-(piperidine-1-carbonyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 166602458
2-[4-[1-(cyclopropanecarbonyl)azepan-2-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 56804487
N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 134803693

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide (CID 125444340) is (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide is N#Cc1cccnc1N1CCC(NC(=O)[C@H]2CCS(=O)(=O)C2)CC1.
What is the InChIKey of (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is GGRXGWNLJAJFNK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-10-12-2-1-6-18-15(12)20-7-3-14(4-8-20)19-16(21)13-5-9-24(22,23)11-13/h1-2,6,13-14H,3-5,7-9,11H2,(H,19,21)/t13-/m0/s1.
What are the key properties of (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide?
(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 348.43 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 125444340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).