6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C25H27FN4O4S — CID 121251628

IUPAC6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)c(F)c1
InChIInChI=1S/C25H27FN4O4S/c1-15-7-8-17(19(26)12-15)20-10-9-18(22(28-20)30-14-16(2)13-25(30,3)4)23(31)29-35(33,34)21-6-5-11-27-24(21)32/h5-12,16H,13-14H2,1-4H3,(H,27,32)(H,29,31)/t16-/m0/s1
InChIKeyOCSQXZFJICXRSP-INIZCTEOSA-N
MW498.58 g/mol
LogP3.63
Rot. Bonds5

About 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide

6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 121251628) has the molecular formula C25H27FN4O4S and a molecular weight of 498.58 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID121251628
Molecular FormulaC25H27FN4O4S
Molecular Weight498.58 g/mol
Exact Mass498.17
IUPAC Name6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)c(F)c1
InChIInChI=1S/C25H27FN4O4S/c1-15-7-8-17(19(26)12-15)20-10-9-18(22(28-20)30-14-16(2)13-25(30,3)4)23(31)29-35(33,34)21-6-5-11-27-24(21)32/h5-12,16H,13-14H2,1-4H3,(H,27,32)(H,29,31)/t16-/m0/s1
InChIKeyOCSQXZFJICXRSP-INIZCTEOSA-N
XLogP3.63
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 25063560
N-[(6-tert-butyl-2-pyrrolidin-1-yl-3-pyridinyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16224834
1-(5-butanoyl-3-cyano-6-methyl-2-pyridinyl)-N-[(3-fluoro-4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 44610522
6-[(1,1-dioxothiolan-3-yl)methylamino]-9-fluoro-2H-benzo[c][1,6]naphthyridin-1-one
CID 52947390
2-[3-fluoro-4-(methanesulfonamidomethyl)phenyl]-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridin-3-yl]methyl]propanamide
CID 71538504
7-(4-Fluoro-3-methylsulfonylphenyl)-3-methyl-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-4-one
CID 50923115
7-[4-(2-Aminopropan-2-yl)phenyl]-5-(ethylamino)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924120
5-(Ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 50924429
4-[3-Methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 50924593
5-(Ethylamino)-7-(3-fluoro-4-piperidin-4-ylphenyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 66958735
N-cyclopropyl-3-[3-methyl-4-oxo-5-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 66958926
5-(Cyclopropylamino)-3-methyl-7-[4-(2-pyrrolidin-1-ylethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 66958957

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 121251628) is 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccc[nH]c3=O)c(N3C[C@@H](C)CC3(C)C)n2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is OCSQXZFJICXRSP-INIZCTEOSA-N. The full InChI is InChI=1S/C25H27FN4O4S/c1-15-7-8-17(19(26)12-15)20-10-9-18(22(28-20)30-14-16(2)13-25(30,3)4)23(31)29-35(33,34)21-6-5-11-27-24(21)32/h5-12,16H,13-14H2,1-4H3,(H,27,32)(H,29,31)/t16-/m0/s1.
What are the key properties of 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 498.58 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methylphenyl)-N-[(2-oxo-1H-pyridin-3-yl)sulfonyl]-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 121251628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).