N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

C19H29N3OS — CID 46377949

IUPACN-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(SCCN2CCCCC2)nc1
InChIInChI=1S/C19H29N3OS/c23-19(21-17-7-3-1-4-8-17)16-9-10-18(20-15-16)24-14-13-22-11-5-2-6-12-22/h9-10,15,17H,1-8,11-14H2,(H,21,23)
InChIKeyBKTSQPJAKFIZLM-UHFFFAOYSA-N
MW347.53 g/mol
LogP3.72
Rot. Bonds6

About N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide (PubChem CID 46377949) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
PubChem CID46377949
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC NameN-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc(SCCN2CCCCC2)nc1
InChIInChI=1S/C19H29N3OS/c23-19(21-17-7-3-1-4-8-17)16-9-10-18(20-15-16)24-14-13-22-11-5-2-6-12-22/h9-10,15,17H,1-8,11-14H2,(H,21,23)
InChIKeyBKTSQPJAKFIZLM-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 50820358
N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide
CID 46377991
N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 50820392
(4-ethylpiperazin-1-yl)-[6-(2-piperidin-1-ylethylsulfanyl)-3-pyridinyl]methanone
CID 46377940
N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 46377945
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide (CID 46377949) is N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide is O=C(NC1CCCCC1)c1ccc(SCCN2CCCCC2)nc1.
What is the InChIKey of N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is BKTSQPJAKFIZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c23-19(21-17-7-3-1-4-8-17)16-9-10-18(20-15-16)24-14-13-22-11-5-2-6-12-22/h9-10,15,17H,1-8,11-14H2,(H,21,23).
What are the key properties of N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 347.53 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 46377949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).