N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

C20H24ClN3O2S — CID 46377945

IUPACN-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(SCCN3CCCCC3)nc2)cc1Cl
InChIInChI=1S/C20H24ClN3O2S/c1-26-18-7-6-16(13-17(18)21)23-20(25)15-5-8-19(22-14-15)27-12-11-24-9-3-2-4-10-24/h5-8,13-14H,2-4,9-12H2,1H3,(H,23,25)
InChIKeyBPWJRQZISLRGMD-UHFFFAOYSA-N
MW405.95 g/mol
LogP4.57
Rot. Bonds7

About N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide (PubChem CID 46377945) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
PubChem CID46377945
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(SCCN3CCCCC3)nc2)cc1Cl
InChIInChI=1S/C20H24ClN3O2S/c1-26-18-7-6-16(13-17(18)21)23-20(25)15-5-8-19(22-14-15)27-12-11-24-9-3-2-4-10-24/h5-8,13-14H,2-4,9-12H2,1H3,(H,23,25)
InChIKeyBPWJRQZISLRGMD-UHFFFAOYSA-N
XLogP4.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18150443
6-amino-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 62060820
N-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 50820358
N-(3-chloro-4-methoxyphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62184786
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
N-(3-chloro-4-methoxyphenyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102940
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
N-(3-chloro-4-methoxyphenyl)-4-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 53098899
N-(3-chloro-4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264466
N-(3-chloro-4-methoxyphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-2-carboxamide
CID 109185866
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952
N-(3-chloro-4-methoxyphenyl)-4-propan-2-ylbenzamide
CID 1406499

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide (CID 46377945) is N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(SCCN3CCCCC3)nc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is BPWJRQZISLRGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-26-18-7-6-16(13-17(18)21)23-20(25)15-5-8-19(22-14-15)27-12-11-24-9-3-2-4-10-24/h5-8,13-14H,2-4,9-12H2,1H3,(H,23,25).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 405.95 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 46377945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).