N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide

C27H31FN4O4S — CID 155084146

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(C3[C@H](C)CC[C@@H]3C)n2)c1
InChIInChI=1S/C27H31FN4O4S/c1-15(2)36-20-13-18(12-19(28)14-20)22-11-10-21(26(30-22)25-16(3)8-9-17(25)4)27(33)32-37(34,35)24-7-5-6-23(29)31-24/h5-7,10-17,25H,8-9H2,1-4H3,(H2,29,31)(H,32,33)/t16-,17+,25?
InChIKeyAMMFDXOVOHSSMJ-BXQQJGBQSA-N
MW526.63 g/mol
LogP4.92
Rot. Bonds7

About N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide (PubChem CID 155084146) has the molecular formula C27H31FN4O4S and a molecular weight of 526.63 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide
PubChem CID155084146
Molecular FormulaC27H31FN4O4S
Molecular Weight526.63 g/mol
Exact Mass526.21
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(C3[C@H](C)CC[C@@H]3C)n2)c1
InChIInChI=1S/C27H31FN4O4S/c1-15(2)36-20-13-18(12-19(28)14-20)22-11-10-21(26(30-22)25-16(3)8-9-17(25)4)27(33)32-37(34,35)24-7-5-6-23(29)31-24/h5-7,10-17,25H,8-9H2,1-4H3,(H2,29,31)(H,32,33)/t16-,17+,25?
InChIKeyAMMFDXOVOHSSMJ-BXQQJGBQSA-N
XLogP4.92
TPSA124.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.63
LogP ≤ 54.92
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]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide (CID 155084146) is N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide is CC(C)Oc1cc(F)cc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(N)n3)c(C3[C@H](C)CC[C@@H]3C)n2)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide?
The InChIKey is AMMFDXOVOHSSMJ-BXQQJGBQSA-N. The full InChI is InChI=1S/C27H31FN4O4S/c1-15(2)36-20-13-18(12-19(28)14-20)22-11-10-21(26(30-22)25-16(3)8-9-17(25)4)27(33)32-37(34,35)24-7-5-6-23(29)31-24/h5-7,10-17,25H,8-9H2,1-4H3,(H2,29,31)(H,32,33)/t16-,17+,25?.
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide has a molecular weight of 526.63 g/mol, XLogP of 4.92, 7 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]-2-[(2R,5S)-2,5-dimethylcyclopentyl]-6-(3-fluoro-5-propan-2-yloxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 155084146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).