(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide

C14H17ClN4O — CID 95286679

IUPAC(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1
InChIInChI=1S/C14H17ClN4O/c1-2-17-14(20)11-4-3-5-19(9-11)13-12(15)6-10(7-16)8-18-13/h6,8,11H,2-5,9H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyJBGPLHSYDXOIHA-LLVKDONJSA-N
MW292.77 g/mol
LogP1.96
Rot. Bonds3

About (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide

(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide (PubChem CID 95286679) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
PubChem CID95286679
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1
InChIInChI=1S/C14H17ClN4O/c1-2-17-14(20)11-4-3-5-19(9-11)13-12(15)6-10(7-16)8-18-13/h6,8,11H,2-5,9H2,1H3,(H,17,20)/t11-/m1/s1
InChIKeyJBGPLHSYDXOIHA-LLVKDONJSA-N
XLogP1.96
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
5-chloro-6-[3-(pentan-2-ylcarbamoyl)piperidin-1-yl]pyridine-3-carboxamide
CID 133278205
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1-methylpyrazole-3-carboxamide
CID 171993639
N-[1-(3-chloro-5-cyano-2-pyridinyl)piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172891175
N-tert-butyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 166600949
1-(5-chloro-3-cyano-4-methyl-2-pyridinyl)piperidine-3-carboxylic acid
CID 122051110
2-[4-(3-chloro-5-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-N-methylacetamide
CID 136513118
6-[(3R)-3-[4-(azetidin-1-yl)-2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl]pyrrolidin-1-yl]-5-chloropyridine-3-carbonitrile
CID 177061325
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
CID 133286024
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
N-(2-methylpropyl)-1-pyrido[2,3-b]pyrazin-7-ylpiperidine-3-carboxamide
CID 71839376
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide (CID 95286679) is (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide is CCNC(=O)[C@@H]1CCCN(c2ncc(C#N)cc2Cl)C1.
What is the InChIKey of (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide?
The InChIKey is JBGPLHSYDXOIHA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-2-17-14(20)11-4-3-5-19(9-11)13-12(15)6-10(7-16)8-18-13/h6,8,11H,2-5,9H2,1H3,(H,17,20)/t11-/m1/s1.
What are the key properties of (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide?
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide has a molecular weight of 292.77 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide is sourced from PubChem (CID 95286679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).