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

C16H23N3OS — CID 50820358

IUPACN-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(SCCN2CCCCC2)nc1
InChIInChI=1S/C16H23N3OS/c20-16(18-14-5-6-14)13-4-7-15(17-12-13)21-11-10-19-8-2-1-3-9-19/h4,7,12,14H,1-3,5-6,8-11H2,(H,18,20)
InChIKeyUNDCCKSTSWSNGX-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.55
Rot. Bonds6

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

N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide (PubChem CID 50820358) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
PubChem CID50820358
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(SCCN2CCCCC2)nc1
InChIInChI=1S/C16H23N3OS/c20-16(18-14-5-6-14)13-4-7-15(17-12-13)21-11-10-19-8-2-1-3-9-19/h4,7,12,14H,1-3,5-6,8-11H2,(H,18,20)
InChIKeyUNDCCKSTSWSNGX-UHFFFAOYSA-N
XLogP2.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 46377949
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
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130
N-cyclopropyl-4-(piperidin-1-ylmethyl)benzamide
CID 17407709
N-cycloheptyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
CID 53180053
5-(cyclooctylcarbamoyl)pyridine-2-carboxylic acid
CID 43414727
6-(cyclohexylamino)-N-cyclopropylpyridine-3-carboxamide
CID 25473351
2-N,5-N-dicyclohexylpyridine-2,5-dicarboxamide
CID 5195107
N-cycloheptyl-6-(1,2,4-triazol-4-yl)pyridine-3-carboxamide
CID 91952761

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide (CID 50820358) is N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide is O=C(NC1CC1)c1ccc(SCCN2CCCCC2)nc1.
What is the InChIKey of N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is UNDCCKSTSWSNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c20-16(18-14-5-6-14)13-4-7-15(17-12-13)21-11-10-19-8-2-1-3-9-19/h4,7,12,14H,1-3,5-6,8-11H2,(H,18,20).
What are the key properties of N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 50820358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).