(3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide

C17H20N4O2S — CID 95908219

IUPAC(3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1C#N
InChIInChI=1S/C17H20N4O2S/c1-24-16-13(8-18)12(7-14(20-16)10-4-5-10)17(23)21-6-2-3-11(9-21)15(19)22/h7,10-11H,2-6,9H2,1H3,(H2,19,22)/t11-/m0/s1
InChIKeyARAVWJYAAJSYEM-NSHDSACASA-N
MW344.44 g/mol
LogP1.89
Rot. Bonds4

About (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide

(3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide (PubChem CID 95908219) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide
PubChem CID95908219
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name(3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide
SMILESCSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1C#N
InChIInChI=1S/C17H20N4O2S/c1-24-16-13(8-18)12(7-14(20-16)10-4-5-10)17(23)21-6-2-3-11(9-21)15(19)22/h7,10-11H,2-6,9H2,1H3,(H2,19,22)/t11-/m0/s1
InChIKeyARAVWJYAAJSYEM-NSHDSACASA-N
XLogP1.89
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-cyclopropyl-4-[(2S,6R)-2-ethyl-6-methylmorpholine-4-carbonyl]-2-methylsulfanylpyridine-3-carbonitrile
CID 99116071
6-cyclopropyl-2-methylsulfanyl-4-[4-(2-nitrophenyl)piperazine-1-carbonyl]pyridine-3-carbonitrile
CID 38631470
6-cyclopropyl-4-(5-methoxy-2,3-dihydroindole-1-carbonyl)-2-methylsulfanylpyridine-3-carbonitrile
CID 71881969
(3S)-1-(2-cyclopropyl-6-methoxyquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 120514204
1-(2-amino-4-bromobenzoyl)piperidine-3-carboxamide
CID 79714737
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
(3S)-1-[3-(6-amino-2-methylsulfanylpyrimidin-4-yl)benzoyl]piperidine-3-carboxamide
CID 126432128
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
1-(2-bromobenzoyl)piperidine-3-carboxamide
CID 24692766
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119378902
1-(2-methylsulfanylbenzoyl)piperidine-3-carbothioamide
CID 79215136

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide (CID 95908219) is (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide is CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1C#N.
What is the InChIKey of (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide?
The InChIKey is ARAVWJYAAJSYEM-NSHDSACASA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-24-16-13(8-18)12(7-14(20-16)10-4-5-10)17(23)21-6-2-3-11(9-21)15(19)22/h7,10-11H,2-6,9H2,1H3,(H2,19,22)/t11-/m0/s1.
What are the key properties of (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide?
(3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 95908219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).