N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide

C25H25F2N3O3 — CID 123260090

IUPACN-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCCC1C(O)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)OC1C
InChIInChI=1S/C25H25F2N3O3/c1-3-15-14(2)33-23(12-22(15)31)17-10-11-28-13-21(17)30-25(32)20-9-8-19(27)24(29-20)16-6-4-5-7-18(16)26/h4-11,13-15,22-23,31H,3,12H2,1-2H3,(H,30,32)
InChIKeyLOWBSXBKRQPSCS-UHFFFAOYSA-N
MW453.49 g/mol
LogP4.91
Rot. Bonds5

About N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide

N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide (PubChem CID 123260090) has the molecular formula C25H25F2N3O3 and a molecular weight of 453.49 g/mol. Its IUPAC name is N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
PubChem CID123260090
Molecular FormulaC25H25F2N3O3
Molecular Weight453.49 g/mol
Exact Mass453.19
IUPAC NameN-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
SMILESCCC1C(O)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)OC1C
InChIInChI=1S/C25H25F2N3O3/c1-3-15-14(2)33-23(12-22(15)31)17-10-11-28-13-21(17)30-25(32)20-9-8-19(27)24(29-20)16-6-4-5-7-18(16)26/h4-11,13-15,22-23,31H,3,12H2,1-2H3,(H,30,32)
InChIKeyLOWBSXBKRQPSCS-UHFFFAOYSA-N
XLogP4.91
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.49
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide with MolForge

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Related Compounds

6-(2,6-difluorophenyl)-N-[4-(6-ethyl-4,5-dihydroxyoxan-2-yl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 77241059
N-[4-[(2R,4R,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 56600948
6-(2,6-difluorophenyl)-N-[4-(5-ethyl-4-hydroxy-7-oxo-3,4,4a,5,6,8,9,9a-octahydro-2H-cyclohepta[b]pyran-2-yl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 123245002
N-[4-(6-carbamoyl-4,5-dihydroxyoxan-2-yl)-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 77241038
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909330
6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 123589289
5-cyano-N-[4-[6-(cyanomethyl)-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)pyridine-2-carboxamide
CID 77158772
N-[4-[(6R,8R,10S)-6-amino-10-methyl-1,4-dioxaspiro[4.5]decan-8-yl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 72551164
3-amino-6-(2,6-difluorophenyl)-N-[4-[(2S,4S,5R,6S)-6-ethyl-4,5-dihydroxyoxan-2-yl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 67208312
N-[4-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]-2-[4-[(2S,4S,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]ethanone
CID 159317481

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide (CID 123260090) is N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide is CCC1C(O)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3ccccc3F)n2)OC1C.
What is the InChIKey of N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is LOWBSXBKRQPSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O3/c1-3-15-14(2)33-23(12-22(15)31)17-10-11-28-13-21(17)30-25(32)20-9-8-19(27)24(29-20)16-6-4-5-7-18(16)26/h4-11,13-15,22-23,31H,3,12H2,1-2H3,(H,30,32).
What are the key properties of N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide?
N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 453.49 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-ethyl-4-hydroxy-6-methyloxan-2-yl)-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 123260090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).