N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide

C17H19N3O3S — CID 68582754

IUPACN-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide
SMILESCC1(C)[C@H](NC(=O)c2cccnc2)[C@H]1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-17(2)14(11-5-7-13(8-6-11)24(18,22)23)15(17)20-16(21)12-4-3-9-19-10-12/h3-10,14-15H,1-2H3,(H,20,21)(H2,18,22,23)/t14-,15-/m1/s1
InChIKeyICEBXTVBSMMOAZ-HUUCEWRRSA-N
MW345.42 g/mol
LogP1.65
Rot. Bonds4

About N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide

N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide (PubChem CID 68582754) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide
PubChem CID68582754
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide
SMILESCC1(C)[C@H](NC(=O)c2cccnc2)[C@H]1c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C17H19N3O3S/c1-17(2)14(11-5-7-13(8-6-11)24(18,22)23)15(17)20-16(21)12-4-3-9-19-10-12/h3-10,14-15H,1-2H3,(H,20,21)(H2,18,22,23)/t14-,15-/m1/s1
InChIKeyICEBXTVBSMMOAZ-HUUCEWRRSA-N
XLogP1.65
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]benzamide
CID 68582129
N-[3-(4-chlorophenyl)-2,2-dimethylcyclopropyl]pyridine-3-carboxamide
CID 68583160
N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-4-methylbenzamide
CID 68582394
4-[2-(pyridine-3-carbonyl)hydrazinyl]benzenesulfonamide
CID 10661301
5-chloro-N-[(1S,3R)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-2-methoxybenzamide
CID 25222733
N-[2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]-5-fluoro-2-methoxybenzamide
CID 68582999
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544
N-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 61129416
N-[(1S)-2,2,2-trichloro-1-(4-sulfamoylanilino)ethyl]pyridine-3-carboxamide
CID 1089455
N-methylpyridine-3-carboxamide chloride
CID 20976730
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyridine-3-carboxamide
CID 30095905

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide (CID 68582754) is N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide is CC1(C)[C@H](NC(=O)c2cccnc2)[C@H]1c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide?
The InChIKey is ICEBXTVBSMMOAZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-17(2)14(11-5-7-13(8-6-11)24(18,22)23)15(17)20-16(21)12-4-3-9-19-10-12/h3-10,14-15H,1-2H3,(H,20,21)(H2,18,22,23)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide?
N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-2,2-dimethyl-3-(4-sulfamoylphenyl)cyclopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 68582754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).