N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

C24H26F2N6O4S — CID 131989995

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C(F)F)n2)cn1
InChIInChI=1S/C24H26F2N6O4S/c1-14(2)36-20-11-8-15(13-28-20)17-10-9-16(23(29-17)32-12-4-5-18(32)22(25)26)24(33)31-37(34,35)21-7-3-6-19(27)30-21/h3,6-11,13-14,18,22H,4-5,12H2,1-2H3,(H2,27,30)(H,31,33)/t18-/m1/s1
InChIKeyPVQIVVRCVUJSHL-GOSISDBHSA-N
MW532.57 g/mol
LogP3.26
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 131989995) has the molecular formula C24H26F2N6O4S and a molecular weight of 532.57 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
PubChem CID131989995
Molecular FormulaC24H26F2N6O4S
Molecular Weight532.57 g/mol
Exact Mass532.17
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C(F)F)n2)cn1
InChIInChI=1S/C24H26F2N6O4S/c1-14(2)36-20-11-8-15(13-28-20)17-10-9-16(23(29-17)32-12-4-5-18(32)22(25)26)24(33)31-37(34,35)21-7-3-6-19(27)30-21/h3,6-11,13-14,18,22H,4-5,12H2,1-2H3,(H2,27,30)(H,31,33)/t18-/m1/s1
InChIKeyPVQIVVRCVUJSHL-GOSISDBHSA-N
XLogP3.26
TPSA140.40 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.57
LogP ≤ 53.26
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]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide (CID 131989995) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is CC(C)Oc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(N3CCC[C@@H]3C(F)F)n2)cn1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is PVQIVVRCVUJSHL-GOSISDBHSA-N. The full InChI is InChI=1S/C24H26F2N6O4S/c1-14(2)36-20-11-8-15(13-28-20)17-10-9-16(23(29-17)32-12-4-5-18(32)22(25)26)24(33)31-37(34,35)21-7-3-6-19(27)30-21/h3,6-11,13-14,18,22H,4-5,12H2,1-2H3,(H2,27,30)(H,31,33)/t18-/m1/s1.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 532.57 g/mol, XLogP of 3.26, 8 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]-2-[(2R)-2-(difluoromethyl)pyrrolidin-1-yl]-6-(6-propan-2-yloxy-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 131989995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).