N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

C18H22N4O3S — CID 166209944

IUPACN-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)N2CCCC2c2ccncc2)c1C
InChIInChI=1S/C18H22N4O3S/c1-12-10-15(26(19,24)25)11-16(13(12)2)21-18(23)22-9-3-4-17(22)14-5-7-20-8-6-14/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,21,23)(H2,19,24,25)
InChIKeyWXHOANOBJUEOAV-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.71
Rot. Bonds3

About N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide

N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (PubChem CID 166209944) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
PubChem CID166209944
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
SMILESCc1cc(S(N)(=O)=O)cc(NC(=O)N2CCCC2c2ccncc2)c1C
InChIInChI=1S/C18H22N4O3S/c1-12-10-15(26(19,24)25)11-16(13(12)2)21-18(23)22-9-3-4-17(22)14-5-7-20-8-6-14/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,21,23)(H2,19,24,25)
InChIKeyWXHOANOBJUEOAV-UHFFFAOYSA-N
XLogP2.71
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(4-fluoro-2-methylphenyl)-2-pyridin-4-ylazepane-1-carboxamide
CID 94078516
N-(4-methylphenyl)sulfonyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 110874698
(2R)-N-(2,5-diethylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 124731980
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
methyl 4-fluoro-3-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 86994028
N-(2-phenylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 86987177
N-(4-methyl-2-propoxyphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 87010188
(2R)-N-(2-ethylsulfanylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94156095
N-(2,3-dimethyl-5-sulfamoylphenyl)imidazole-1-carboxamide
CID 81258188
2-(4-methoxyphenyl)-N-pyridin-4-ylpyrrolidine-1-carboxamide
CID 138993640
methyl 5-chloro-2-methoxy-4-[(2-pyridin-4-ylpyrrolidine-1-carbonyl)amino]benzoate
CID 51116489
N-[(4-methylphenyl)methyl]-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 47022403

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The IUPAC name of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide (CID 166209944) is N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is Cc1cc(S(N)(=O)=O)cc(NC(=O)N2CCCC2c2ccncc2)c1C.
What is the InChIKey of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
The InChIKey is WXHOANOBJUEOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-12-10-15(26(19,24)25)11-16(13(12)2)21-18(23)22-9-3-4-17(22)14-5-7-20-8-6-14/h5-8,10-11,17H,3-4,9H2,1-2H3,(H,21,23)(H2,19,24,25).
What are the key properties of N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide?
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-5-sulfamoylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 166209944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).