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

C24H25F2N5O3S — CID 175515675

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3ccc(F)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C24H25F2N5O3S/c1-14-11-12-31(24(14,2)3)22-17(9-10-19(28-22)16-8-7-15(25)13-18(16)26)23(32)30-35(33,34)21-6-4-5-20(27)29-21/h4-10,13-14H,11-12H2,1-3H3,(H2,27,29)(H,30,32)
InChIKeyYWCXNEAMNMZNBM-UHFFFAOYSA-N
MW501.56 g/mol
LogP3.75
Rot. Bonds5

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175515675) has the molecular formula C24H25F2N5O3S and a molecular weight of 501.56 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175515675
Molecular FormulaC24H25F2N5O3S
Molecular Weight501.56 g/mol
Exact Mass501.16
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3ccc(F)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C24H25F2N5O3S/c1-14-11-12-31(24(14,2)3)22-17(9-10-19(28-22)16-8-7-15(25)13-18(16)26)23(32)30-35(33,34)21-6-4-5-20(27)29-21/h4-10,13-14H,11-12H2,1-3H3,(H2,27,29)(H,30,32)
InChIKeyYWCXNEAMNMZNBM-UHFFFAOYSA-N
XLogP3.75
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.56
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175515675) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2nc(-c3ccc(F)cc3F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is YWCXNEAMNMZNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N5O3S/c1-14-11-12-31(24(14,2)3)22-17(9-10-19(28-22)16-8-7-15(25)13-18(16)26)23(32)30-35(33,34)21-6-4-5-20(27)29-21/h4-10,13-14H,11-12H2,1-3H3,(H2,27,29)(H,30,32).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 501.56 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-(2,4-difluorophenyl)-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175515675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).