1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C25H33N5O4S — CID 55971087

IUPAC1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cc1
InChIInChI=1S/C25H33N5O4S/c1-29(21-7-3-2-4-8-21)35(33,34)22-12-9-18(10-13-22)25(32)28-20-11-14-23(27-16-20)30-15-5-6-19(17-30)24(26)31/h9-14,16,19,21H,2-8,15,17H2,1H3,(H2,26,31)(H,28,32)
InChIKeyPZJFPCRKANRFHW-UHFFFAOYSA-N
MW499.64 g/mol
LogP2.99
Rot. Bonds7

About 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55971087) has the molecular formula C25H33N5O4S and a molecular weight of 499.64 g/mol. Its IUPAC name is 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55971087
Molecular FormulaC25H33N5O4S
Molecular Weight499.64 g/mol
Exact Mass499.23
IUPAC Name1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cc1
InChIInChI=1S/C25H33N5O4S/c1-29(21-7-3-2-4-8-21)35(33,34)22-12-9-18(10-13-22)25(32)28-20-11-14-23(27-16-20)30-15-5-6-19(17-30)24(26)31/h9-14,16,19,21H,2-8,15,17H2,1H3,(H2,26,31)(H,28,32)
InChIKeyPZJFPCRKANRFHW-UHFFFAOYSA-N
XLogP2.99
TPSA125.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[[4-(trifluoromethylsulfanyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701002
N-(6-piperidin-1-yl-3-pyridinyl)-4-sulfamoylbenzamide
CID 55502246
1-[5-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971223
1-[5-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700900
(3R)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]piperidine-3-carboxamide
CID 51969113
1-[5-[(1-methylsulfonylpiperidine-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700725
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
1-[5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55971217
1-[5-[(4-propan-2-ylphenyl)sulfonylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 86967490
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
1-[5-[(3-cyanobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86988880
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55971087) is 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)cc1.
What is the InChIKey of 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is PZJFPCRKANRFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O4S/c1-29(21-7-3-2-4-8-21)35(33,34)22-12-9-18(10-13-22)25(32)28-20-11-14-23(27-16-20)30-15-5-6-19(17-30)24(26)31/h9-14,16,19,21H,2-8,15,17H2,1H3,(H2,26,31)(H,28,32).
What are the key properties of 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55971087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).