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

C25H28FN5O3S — CID 176719609

IUPACN-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccncc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1F
InChIInChI=1S/C25H28FN5O3S/c1-15-12-25(3,4)31(14-15)23-18(7-8-21(29-23)17-6-5-16(2)19(26)11-17)24(32)30-35(33,34)22-9-10-28-13-20(22)27/h5-11,13,15H,12,14,27H2,1-4H3,(H,30,32)/t15-/m0/s1
InChIKeyYLYOIPYXFDPKLS-HNNXBMFYSA-N
MW497.60 g/mol
LogP3.92
Rot. Bonds5

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

N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 176719609) has the molecular formula C25H28FN5O3S and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID176719609
Molecular FormulaC25H28FN5O3S
Molecular Weight497.60 g/mol
Exact Mass497.19
IUPAC NameN-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccncc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1F
InChIInChI=1S/C25H28FN5O3S/c1-15-12-25(3,4)31(14-15)23-18(7-8-21(29-23)17-6-5-16(2)19(26)11-17)24(32)30-35(33,34)22-9-10-28-13-20(22)27/h5-11,13,15H,12,14,27H2,1-4H3,(H,30,32)/t15-/m0/s1
InChIKeyYLYOIPYXFDPKLS-HNNXBMFYSA-N
XLogP3.92
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 176719609) is N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is Cc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccncc3N)c(N3C[C@@H](C)CC3(C)C)n2)cc1F.
What is the InChIKey of N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is YLYOIPYXFDPKLS-HNNXBMFYSA-N. The full InChI is InChI=1S/C25H28FN5O3S/c1-15-12-25(3,4)31(14-15)23-18(7-8-21(29-23)17-6-5-16(2)19(26)11-17)24(32)30-35(33,34)22-9-10-28-13-20(22)27/h5-11,13,15H,12,14,27H2,1-4H3,(H,30,32)/t15-/m0/s1.
What are the key properties of N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-4-pyridinyl)sulfonyl]-6-(3-fluoro-4-methylphenyl)-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176719609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).