N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

C22H29N3OS — CID 50820392

IUPACN-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(SCCN3CCCCC3)nc2)cc1
InChIInChI=1S/C22H29N3OS/c1-2-18-6-8-19(9-7-18)16-24-22(26)20-10-11-21(23-17-20)27-15-14-25-12-4-3-5-13-25/h6-11,17H,2-5,12-16H2,1H3,(H,24,26)
InChIKeySCJNZBGSCYHKOB-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.15
Rot. Bonds8

About N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide

N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide (PubChem CID 50820392) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
PubChem CID50820392
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC NameN-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(SCCN3CCCCC3)nc2)cc1
InChIInChI=1S/C22H29N3OS/c1-2-18-6-8-19(9-7-18)16-24-22(26)20-10-11-21(23-17-20)27-15-14-25-12-4-3-5-13-25/h6-11,17H,2-5,12-16H2,1H3,(H,24,26)
InChIKeySCJNZBGSCYHKOB-UHFFFAOYSA-N
XLogP4.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.15
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-cyclopropyl-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide
CID 50820358
(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-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
4-(piperidin-1-ylmethyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzamide
CID 24654968
6-ethoxy-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]pyridine-3-carboxamide
CID 47047914
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
CID 67567287
4-methyl-N-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]benzamide
CID 15137005
4-(piperidin-1-ylmethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 17398321

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide (CID 50820392) is N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide is CCc1ccc(CNC(=O)c2ccc(SCCN3CCCCC3)nc2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is SCJNZBGSCYHKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-2-18-6-8-19(9-7-18)16-24-22(26)20-10-11-21(23-17-20)27-15-14-25-12-4-3-5-13-25/h6-11,17H,2-5,12-16H2,1H3,(H,24,26).
What are the key properties of N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide?
N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 383.56 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-6-(2-piperidin-1-ylethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 50820392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).