6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide

C26H27F3N3O2P — CID 123589289

IUPAC6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESCCC1(P)C(C)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)CC1O
InChIInChI=1S/C26H27F3N3O2P/c1-3-26(35)14(2)11-15(12-22(26)33)16-9-10-30-13-21(16)32-25(34)20-8-7-19(29)24(31-20)23-17(27)5-4-6-18(23)28/h4-10,13-15,22,33H,3,11-12,35H2,1-2H3,(H,32,34)
InChIKeyBUYBMHAITZRACF-UHFFFAOYSA-N
MW501.49 g/mol
LogP5.71
Rot. Bonds5

About 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide

6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide (PubChem CID 123589289) has the molecular formula C26H27F3N3O2P and a molecular weight of 501.49 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
PubChem CID123589289
Molecular FormulaC26H27F3N3O2P
Molecular Weight501.49 g/mol
Exact Mass501.18
IUPAC Name6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESCCC1(P)C(C)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)CC1O
InChIInChI=1S/C26H27F3N3O2P/c1-3-26(35)14(2)11-15(12-22(26)33)16-9-10-30-13-21(16)32-25(34)20-8-7-19(29)24(31-20)23-17(27)5-4-6-18(23)28/h4-10,13-15,22,33H,3,11-12,35H2,1-2H3,(H,32,34)
InChIKeyBUYBMHAITZRACF-UHFFFAOYSA-N
XLogP5.71
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.49
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70656288
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
2-[(1S,2R,4R,6S)-4-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-1,2-dihydroxy-6-methylcyclohexyl]propanoic acid
CID 90330457
N-[4-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
6-(2,6-difluorophenyl)-5-fluoro-N-[4-[(1S,3S,4S)-4-hydroxy-3-methylcyclohexyl]-3-pyridinyl]pyridine-2-carboxamide
CID 70909330
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
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
N-[4-[(1S,3S,5R)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 68556022
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
CID 126970584
N-[4-[(1R,3R,4S,5S)-3-amino-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 143951540
6-(2,6-difluorophenyl)-N-[4-(6-ethyl-4,5-dihydroxyoxan-2-yl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 77241059
6-[2,6-difluoro-4-(3-hydroxyoxetan-3-yl)phenyl]-N-[4-[(1S,3S,4S,5R)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70660752

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide (CID 123589289) is 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide is CCC1(P)C(C)CC(c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)CC1O.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is BUYBMHAITZRACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N3O2P/c1-3-26(35)14(2)11-15(12-22(26)33)16-9-10-30-13-21(16)32-25(34)20-8-7-19(29)24(31-20)23-17(27)5-4-6-18(23)28/h4-10,13-15,22,33H,3,11-12,35H2,1-2H3,(H,32,34).
What are the key properties of 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 501.49 g/mol, XLogP of 5.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-N-[4-(4-ethyl-3-hydroxy-5-methyl-4-phosphanylcyclohexyl)-3-pyridinyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 123589289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).