N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide

C24H32N4O2S — CID 46377991

IUPACN-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(SCCN2CCOCC2)nc1
InChIInChI=1S/C24H32N4O2S/c29-24(26-22-8-10-28(11-9-22)19-20-4-2-1-3-5-20)21-6-7-23(25-18-21)31-17-14-27-12-15-30-16-13-27/h1-7,18,22H,8-17,19H2,(H,26,29)
InChIKeyIVIRLTKLKXGAHY-UHFFFAOYSA-N
MW440.61 g/mol
LogP2.90
Rot. Bonds8

About N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide

N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide (PubChem CID 46377991) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide
PubChem CID46377991
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(SCCN2CCOCC2)nc1
InChIInChI=1S/C24H32N4O2S/c29-24(26-22-8-10-28(11-9-22)19-20-4-2-1-3-5-20)21-6-7-23(25-18-21)31-17-14-27-12-15-30-16-13-27/h1-7,18,22H,8-17,19H2,(H,26,29)
InChIKeyIVIRLTKLKXGAHY-UHFFFAOYSA-N
XLogP2.90
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid
CID 61305130
N-(1-benzylpiperidin-4-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 117088638
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
5-(4-benzylpiperazine-1-carbonyl)-N-(1-benzylpiperidin-4-yl)pyridine-2-carboxamide
CID 56650667
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 17176526
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 71495429
N-(1-benzylpiperidin-4-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 24981031

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide (CID 46377991) is N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(SCCN2CCOCC2)nc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide?
The InChIKey is IVIRLTKLKXGAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c29-24(26-22-8-10-28(11-9-22)19-20-4-2-1-3-5-20)21-6-7-23(25-18-21)31-17-14-27-12-15-30-16-13-27/h1-7,18,22H,8-17,19H2,(H,26,29).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide?
N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxamide is sourced from PubChem (CID 46377991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).