N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C16H16N2O3S — CID 175733082

IUPACN-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)CCC3)c1
InChIInChI=1S/C16H16N2O3S/c1-22(20,21)14-6-3-5-13(9-14)18-16(19)12-8-11-4-2-7-15(11)17-10-12/h3,5-6,8-10H,2,4,7H2,1H3,(H,18,19)
InChIKeyYJKIQEKFRRFGCC-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.23
Rot. Bonds3

About N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 175733082) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID175733082
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESCS(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)CCC3)c1
InChIInChI=1S/C16H16N2O3S/c1-22(20,21)14-6-3-5-13(9-14)18-16(19)12-8-11-4-2-7-15(11)17-10-12/h3,5-6,8-10H,2,4,7H2,1H3,(H,18,19)
InChIKeyYJKIQEKFRRFGCC-UHFFFAOYSA-N
XLogP2.23
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 9071047
N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 175733101
5-amino-N-(3-methylsulfonylphenyl)pyridine-2-carboxamide
CID 81317410
3-amino-4-chloro-N-(3-methylsulfonylphenyl)benzamide
CID 60923802
3-methyl-N-(3-methylsulfonylphenyl)benzamide
CID 17416178
(3-methylsulfonylphenyl)carbamothioic S-acid
CID 87640544
N-(3-methylsulfonylphenyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 9071791
5-chloro-N-(3-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 103803477
2-(aminomethyl)-N-(3-methylsulfonylphenyl)pyridine-4-carboxamide
CID 114325907
3-(cyclopropanecarbonylamino)-N-(3-methylsulfonylphenyl)benzamide
CID 33156436
3-(azepan-1-ylsulfonyl)-N-(3-methylsulfonylphenyl)benzamide
CID 26722877
N-(3-iodophenyl)-3-methylsulfonylbenzamide
CID 16545735

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 175733082) is N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CS(=O)(=O)c1cccc(NC(=O)c2cnc3c(c2)CCC3)c1.
What is the InChIKey of N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is YJKIQEKFRRFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-22(20,21)14-6-3-5-13(9-14)18-16(19)12-8-11-4-2-7-15(11)17-10-12/h3,5-6,8-10H,2,4,7H2,1H3,(H,18,19).
What are the key properties of N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfonylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 175733082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).