N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide

C27H36N4O4S — CID 167273048

IUPACN-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)=C1CCN(c2nc(NCCO)ccc2C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1
InChIInChI=1S/C27H36N4O4S/c1-19(2)20-12-15-31(16-13-20)26-24(10-11-25(30-26)28-14-17-32)27(33)29-21-6-5-9-23(18-21)36(34,35)22-7-3-4-8-22/h5-6,9-11,18,22,32H,3-4,7-8,12-17H2,1-2H3,(H,28,30)(H,29,33)
InChIKeyWWAXHQFXTBFQAF-UHFFFAOYSA-N
MW512.68 g/mol
LogP4.39
Rot. Bonds8

About N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide

N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 167273048) has the molecular formula C27H36N4O4S and a molecular weight of 512.68 g/mol. Its IUPAC name is N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide
PubChem CID167273048
Molecular FormulaC27H36N4O4S
Molecular Weight512.68 g/mol
Exact Mass512.25
IUPAC NameN-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide
SMILESCC(C)=C1CCN(c2nc(NCCO)ccc2C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1
InChIInChI=1S/C27H36N4O4S/c1-19(2)20-12-15-31(16-13-20)26-24(10-11-25(30-26)28-14-17-32)27(33)29-21-6-5-9-23(18-21)36(34,35)22-7-3-4-8-22/h5-6,9-11,18,22,32H,3-4,7-8,12-17H2,1-2H3,(H,28,30)(H,29,33)
InChIKeyWWAXHQFXTBFQAF-UHFFFAOYSA-N
XLogP4.39
TPSA111.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.68
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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2-(6-azaspiro[2.5]octan-6-yl)-N-[3-(2,2-dimethylpropylsulfonyl)phenyl]-6-[[(1S,2R)-2-hydroxycyclopentyl]amino]pyridine-3-carboxamide
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CID 86815081
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N-(3-cyclopentylsulfonylphenyl)thiophene-3-carboxamide
CID 39208667
N-(3-cyclopentylsulfonylphenyl)-2-phenyltriazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide (CID 167273048) is N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide is CC(C)=C1CCN(c2nc(NCCO)ccc2C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)CC1.
What is the InChIKey of N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is WWAXHQFXTBFQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4S/c1-19(2)20-12-15-31(16-13-20)26-24(10-11-25(30-26)28-14-17-32)27(33)29-21-6-5-9-23(18-21)36(34,35)22-7-3-4-8-22/h5-6,9-11,18,22,32H,3-4,7-8,12-17H2,1-2H3,(H,28,30)(H,29,33).
What are the key properties of N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide?
N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 512.68 g/mol, XLogP of 4.39, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylsulfonylphenyl)-6-(2-hydroxyethylamino)-2-(4-propan-2-ylidenepiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 167273048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).