N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide

C16H21N5O3S — CID 92625334

IUPACN,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1C
InChIInChI=1S/C16H21N5O3S/c1-11-12(16(22)17-2)6-7-13(19-11)14-5-4-8-21(14)25(23,24)15-9-20(3)10-18-15/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,17,22)/t14-/m1/s1
InChIKeyZAAFZXNCWLZFHK-CQSZACIVSA-N
MW363.44 g/mol
LogP1.01
Rot. Bonds4

About N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide

N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide (PubChem CID 92625334) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
PubChem CID92625334
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC NameN,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1C
InChIInChI=1S/C16H21N5O3S/c1-11-12(16(22)17-2)6-7-13(19-11)14-5-4-8-21(14)25(23,24)15-9-20(3)10-18-15/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,17,22)/t14-/m1/s1
InChIKeyZAAFZXNCWLZFHK-CQSZACIVSA-N
XLogP1.01
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidin-4-amine
CID 124998979
1-methyl-4-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylimidazole
CID 95824678
N-(5-fluoro-2-pyridinyl)-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridin-3-amine
CID 95813512
5-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124979504
N-benzyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyridine-3-carboxamide
CID 92620346
4-[(4-fluorophenyl)methyl]-2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 92617111
N,N-diethyl-4-methyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]pyrimidine-5-carboxamide
CID 110247837
2-[(3-fluorophenyl)methyl]-6-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine
CID 95818487
5-methyl-2-[(2S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-imidazole
CID 124999412
5-methyl-3-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 110271194
2-methyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-1H-pyridin-4-one
CID 95824730
(2S)-1-(1-methylimidazol-4-yl)sulfonyl-2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 95824716

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide?
The IUPAC name of N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide (CID 92625334) is N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide is CNC(=O)c1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)cn2)nc1C.
What is the InChIKey of N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide?
The InChIKey is ZAAFZXNCWLZFHK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-11-12(16(22)17-2)6-7-13(19-11)14-5-4-8-21(14)25(23,24)15-9-20(3)10-18-15/h6-7,9-10,14H,4-5,8H2,1-3H3,(H,17,22)/t14-/m1/s1.
What are the key properties of N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide?
N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-[(2R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92625334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).