2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide

C25H32N4OS — CID 155781458

IUPAC2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)cc1SN1CCCCC1
InChIInChI=1S/C25H32N4OS/c1-19-7-8-20(18-22(19)31-29-14-3-2-4-15-29)27-24(30)21-6-5-13-26-23(21)28-16-11-25(9-10-25)12-17-28/h5-8,13,18H,2-4,9-12,14-17H2,1H3,(H,27,30)
InChIKeyLLLGGVHYRUDNJU-UHFFFAOYSA-N
MW436.63 g/mol
LogP5.52
Rot. Bonds5

About 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide

2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide (PubChem CID 155781458) has the molecular formula C25H32N4OS and a molecular weight of 436.63 g/mol. Its IUPAC name is 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide
PubChem CID155781458
Molecular FormulaC25H32N4OS
Molecular Weight436.63 g/mol
Exact Mass436.23
IUPAC Name2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)cc1SN1CCCCC1
InChIInChI=1S/C25H32N4OS/c1-19-7-8-20(18-22(19)31-29-14-3-2-4-15-29)27-24(30)21-6-5-13-26-23(21)28-16-11-25(9-10-25)12-17-28/h5-8,13,18H,2-4,9-12,14-17H2,1H3,(H,27,30)
InChIKeyLLLGGVHYRUDNJU-UHFFFAOYSA-N
XLogP5.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.63
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 46489174
2-(6-azaspiro[2.5]octan-6-yl)-N-[3-[cyclobutyl(methyl)amino]sulfanylphenyl]pyridine-3-carboxamide
CID 155781177
2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
2-piperidin-1-yl-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 84575233
N-(3-chloro-4-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 39584681
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
2-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-3-carboxamide
CID 84576944
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51324941
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 37162940
N-[3-(ethylaminomethyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119438454

Frequently Asked Questions

What is the IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide?
The IUPAC name of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide (CID 155781458) is 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2cccnc2N2CCC3(CC2)CC3)cc1SN1CCCCC1.
What is the InChIKey of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide?
The InChIKey is LLLGGVHYRUDNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4OS/c1-19-7-8-20(18-22(19)31-29-14-3-2-4-15-29)27-24(30)21-6-5-13-26-23(21)28-16-11-25(9-10-25)12-17-28/h5-8,13,18H,2-4,9-12,14-17H2,1H3,(H,27,30).
What are the key properties of 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide?
2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide has a molecular weight of 436.63 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-azaspiro[2.5]octan-6-yl)-N-(4-methyl-3-piperidin-1-ylsulfanylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 155781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).