6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide

C45H40F6N6O8 — CID 160527441

IUPAC6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESCC1(C)OCC(CCOc2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)O1.O=C(Nc1cnccc1OCCC(O)CO)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H22F3N3O4.C21H18F3N3O4/c1-24(2)33-13-14(34-24)9-11-32-20-8-10-28-12-19(20)30-23(31)18-7-6-17(27)22(29-18)21-15(25)4-3-5-16(21)26;22-13-2-1-3-14(23)19(13)20-15(24)4-5-16(26-20)21(30)27-17-10-25-8-6-18(17)31-9-7-12(29)11-28/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,30,31);1-6,8,10,12,28-29H,7,9,11H2,(H,27,30)
InChIKeyQVCBMVVMAUPGMF-UHFFFAOYSA-N
MW906.84 g/mol
LogP7.67
Rot. Bonds15

About 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide

6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (PubChem CID 160527441) has the molecular formula C45H40F6N6O8 and a molecular weight of 906.84 g/mol. Its IUPAC name is 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
PubChem CID160527441
Molecular FormulaC45H40F6N6O8
Molecular Weight906.84 g/mol
Exact Mass906.28
IUPAC Name6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
SMILESCC1(C)OCC(CCOc2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)O1.O=C(Nc1cnccc1OCCC(O)CO)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C24H22F3N3O4.C21H18F3N3O4/c1-24(2)33-13-14(34-24)9-11-32-20-8-10-28-12-19(20)30-23(31)18-7-6-17(27)22(29-18)21-15(25)4-3-5-16(21)26;22-13-2-1-3-14(23)19(13)20-15(24)4-5-16(26-20)21(30)27-17-10-25-8-6-18(17)31-9-7-12(29)11-28/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,30,31);1-6,8,10,12,28-29H,7,9,11H2,(H,27,30)
InChIKeyQVCBMVVMAUPGMF-UHFFFAOYSA-N
XLogP7.67
TPSA187.14 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.84
LogP ≤ 57.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide with MolForge

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Related Compounds

6-(2,6-difluorophenyl)-5-fluoro-N-[4-(4-hydroxybutoxy)-3-pyridinyl]pyridine-2-carboxamide
CID 118413553
[(1S,3R,5S)-3-[3-[[6-[4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methylcyclohexyl]carbamic acid
CID 70655646
6-(2,6-difluorophenyl)-N-[4-[(1R,3R,4R,5S)-3,4-dihydroxy-5-methylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 59226554
N-[4-[(3R,5S)-3,5-diaminocyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179581
6-(2,6-difluorophenyl)-N-[4-(oxan-4-ylmethoxy)-3-pyridinyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 126712802
methyl 6-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]-2,6-difluorophenyl]-5-fluoropyridine-2-carboxylate
CID 70655263
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-[(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-[(1R,3R,4R,5S)-3,4-dihydroxy-4,5-dimethylcyclohexyl]-3-pyridinyl]-5-fluoropyridine-2-carboxamide
CID 70656288
6-(2,6-difluorophenyl)-N-[4-[3-(dimethylamino)propoxy]pyrimidin-5-yl]-5-fluoropyridine-2-carboxamide
CID 118416976
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide;hydrochloride
CID 126970584

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The IUPAC name of 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide (CID 160527441) is 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide.
What is the SMILES notation for 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The canonical SMILES for 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is CC1(C)OCC(CCOc2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)O1.O=C(Nc1cnccc1OCCC(O)CO)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
The InChIKey is QVCBMVVMAUPGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N3O4.C21H18F3N3O4/c1-24(2)33-13-14(34-24)9-11-32-20-8-10-28-12-19(20)30-23(31)18-7-6-17(27)22(29-18)21-15(25)4-3-5-16(21)26;22-13-2-1-3-14(23)19(13)20-15(24)4-5-16(26-20)21(30)27-17-10-25-8-6-18(17)31-9-7-12(29)11-28/h3-8,10,12,14H,9,11,13H2,1-2H3,(H,30,31);1-6,8,10,12,28-29H,7,9,11H2,(H,27,30).
What are the key properties of 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide?
6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide has a molecular weight of 906.84 g/mol, XLogP of 7.67, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluorophenyl)-N-[4-(3,4-dihydroxybutoxy)-3-pyridinyl]-5-fluoropyridine-2-carboxamide;6-(2,6-difluorophenyl)-N-[4-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethoxy]-3-pyridinyl]-5-fluoropyridine-2-carboxamide is sourced from PubChem (CID 160527441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).