N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

C23H24F2N6O4S — CID 130203101

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(OC(F)F)nc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C23H24F2N6O4S/c1-13-6-7-14(2)31(13)21-16(22(32)30-36(33,34)20-5-3-4-18(26)29-20)9-10-17(28-21)15-8-11-19(27-12-15)35-23(24)25/h3-5,8-14,23H,6-7H2,1-2H3,(H2,26,29)(H,30,32)/t13-,14+
InChIKeyQXVVMYAICBQWQH-OKILXGFUSA-N
MW518.55 g/mol
LogP3.22
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 130203101) has the molecular formula C23H24F2N6O4S and a molecular weight of 518.55 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID130203101
Molecular FormulaC23H24F2N6O4S
Molecular Weight518.55 g/mol
Exact Mass518.15
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide
SMILESC[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(OC(F)F)nc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1
InChIInChI=1S/C23H24F2N6O4S/c1-13-6-7-14(2)31(13)21-16(22(32)30-36(33,34)20-5-3-4-18(26)29-20)9-10-17(28-21)15-8-11-19(27-12-15)35-23(24)25/h3-5,8-14,23H,6-7H2,1-2H3,(H2,26,29)(H,30,32)/t13-,14+
InChIKeyQXVVMYAICBQWQH-OKILXGFUSA-N
XLogP3.22
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.55
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide (CID 130203101) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide is C[C@@H]1CC[C@H](C)N1c1nc(-c2ccc(OC(F)F)nc2)ccc1C(=O)NS(=O)(=O)c1cccc(N)n1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is QXVVMYAICBQWQH-OKILXGFUSA-N. The full InChI is InChI=1S/C23H24F2N6O4S/c1-13-6-7-14(2)31(13)21-16(22(32)30-36(33,34)20-5-3-4-18(26)29-20)9-10-17(28-21)15-8-11-19(27-12-15)35-23(24)25/h3-5,8-14,23H,6-7H2,1-2H3,(H2,26,29)(H,30,32)/t13-,14+.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 518.55 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(difluoromethoxy)-3-pyridinyl]-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 130203101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).