6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide

C23H15F6N3O3 — CID 56600339

IUPAC6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1[C@@]1(C(F)(F)F)C[C@@H](O)C=CO1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C23H15F6N3O3/c24-14-2-1-3-15(25)19(14)20-16(26)4-5-17(31-20)21(34)32-18-11-30-8-6-13(18)22(23(27,28)29)10-12(33)7-9-35-22/h1-9,11-12,33H,10H2,(H,32,34)/t12-,22+/m0/s1
InChIKeyJZVXMZJTRSBPAX-AMXDTQDGSA-N
MW495.38 g/mol
LogP4.87
Rot. Bonds4

About 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 56600339) has the molecular formula C23H15F6N3O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide
PubChem CID56600339
Molecular FormulaC23H15F6N3O3
Molecular Weight495.38 g/mol
Exact Mass495.10
IUPAC Name6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnccc1[C@@]1(C(F)(F)F)C[C@@H](O)C=CO1)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C23H15F6N3O3/c24-14-2-1-3-15(25)19(14)20-16(26)4-5-17(31-20)21(34)32-18-11-30-8-6-13(18)22(23(27,28)29)10-12(33)7-9-35-22/h1-9,11-12,33H,10H2,(H,32,34)/t12-,22+/m0/s1
InChIKeyJZVXMZJTRSBPAX-AMXDTQDGSA-N
XLogP4.87
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.38
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide with MolForge

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Related Compounds

6-(2,6-difluorophenyl)-5-fluoro-N-[4-[2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 123679610
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)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70656288
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909330
N-[4-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
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)-5-fluoro-N-[4-(4-hydroxybutoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 118413553
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
N-[4-[(1S,3S,5R)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68556022
6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 123589289

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide (CID 56600339) is 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnccc1[C@@]1(C(F)(F)F)C[C@@H](O)C=CO1)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is JZVXMZJTRSBPAX-AMXDTQDGSA-N. The full InChI is InChI=1S/C23H15F6N3O3/c24-14-2-1-3-15(25)19(14)20-16(26)4-5-17(31-20)21(34)32-18-11-30-8-6-13(18)22(23(27,28)29)10-12(33)7-9-35-22/h1-9,11-12,33H,10H2,(H,32,34)/t12-,22+/m0/s1.
What are the key properties of 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide?
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 495.38 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(2R,4R)-4-hydroxy-2-(trifluoromethyl)-3,4-dihydropyran-2-yl]-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 56600339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).