6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

C55H44F3N9O6 — CID 123268019

IUPAC6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1
InChIInChI=1S/C19H16N2O2.C18H13F3N4O2.C18H15N3O2/c1-14-5-2-6-15(11-14)19(22)21-16-7-3-8-17(12-16)23-18-9-4-10-20-13-18;1-18(20,21)16-4-2-3-15(25-16)17(26)24-12-5-11(19)6-13(7-12)27-14-8-22-10-23-9-14;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-13H,1H3,(H,21,22);2-10H,1H3,(H,24,26);2-12H,1H3,(H,21,22)
InChIKeyBQIRFASSSBHEIJ-UHFFFAOYSA-N
MW984.01 g/mol
LogP12.43
Rot. Bonds13

About 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide

6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (PubChem CID 123268019) has the molecular formula C55H44F3N9O6 and a molecular weight of 984.01 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
PubChem CID123268019
Molecular FormulaC55H44F3N9O6
Molecular Weight984.01 g/mol
Exact Mass983.34
IUPAC Name6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide
SMILESCC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1
InChIInChI=1S/C19H16N2O2.C18H13F3N4O2.C18H15N3O2/c1-14-5-2-6-15(11-14)19(22)21-16-7-3-8-17(12-16)23-18-9-4-10-20-13-18;1-18(20,21)16-4-2-3-15(25-16)17(26)24-12-5-11(19)6-13(7-12)27-14-8-22-10-23-9-14;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-13H,1H3,(H,21,22);2-10H,1H3,(H,24,26);2-12H,1H3,(H,21,22)
InChIKeyBQIRFASSSBHEIJ-UHFFFAOYSA-N
XLogP12.43
TPSA192.33 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500984.01
LogP ≤ 512.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide with MolForge

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Related Compounds

N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 25123829
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-morpholinopiperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571814
N-(2,6-difluorophenyl)-3-(3-(2-(2-methoxy-4-(4-(4-methylpiperazin-1-yl)piperidin-1-yl)phenylamino)pyrimidin-4-yl)imidazo[1,2-a]pyridin-2-yl)benzamide
CID 44571817
N-[2-methyl-5-(2-morpholin-4-ylethoxy)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 77108321
3-fluoro-N-[2-methyl-5-(3-morpholin-4-ylpropoxy)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 137653208
5-(4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidin-5-yl)-N-(2,2,2-trifluoroethyl)picolinamide
CID 76282779
N-[2-methyl-5-(3-morpholin-4-ylpropoxy)phenyl]-4-[[5-methyl-4-[4-(trifluoromethoxy)phenyl]pyrimidin-2-yl]amino]benzamide
CID 145958727
N-(2,6-difluorophenyl)-3-[3-[2-[4-[4-[4-(2-fluoroethyl)piperazin-1-yl]piperidin-1-yl]-2-methoxyanilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]benzamide
CID 25124474
6-[4-(4-Fluorophenoxy)phenyl]-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 56943117
N-(2,6-difluorophenyl)-3-[3-(2-{[4-{4-[4-(2-fluoroethyl)-1-piperazinyl]-1-piperidinyl}-2-(methyloxy)phenyl]amino}-4-pyrimidinyl)-7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452611
N-(2,6-difluorophenyl)-3-[3-[2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]-8-methylimidazo[1,2-a]pyridin-2-yl]benzamide
CID 59452625
3-[3-(2-{[4-(1,4'-bipiperidin-1'-yl)-2-(propyloxy)phenyl]amino}-4-pyrimidinyl)-imidazo[1,2-a]pyridin-2-yl]-N-(2,6-difluorophenyl)benzamide
CID 59452683

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide (CID 123268019) is 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is CC(F)(F)c1cccc(C(=O)Nc2cc(F)cc(Oc3cncnc3)c2)n1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)c1.Cc1cccc(C(=O)Nc2cccc(Oc3cccnc3)c2)n1.
What is the InChIKey of 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
The InChIKey is BQIRFASSSBHEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2.C18H13F3N4O2.C18H15N3O2/c1-14-5-2-6-15(11-14)19(22)21-16-7-3-8-17(12-16)23-18-9-4-10-20-13-18;1-18(20,21)16-4-2-3-15(25-16)17(26)24-12-5-11(19)6-13(7-12)27-14-8-22-10-23-9-14;1-13-5-2-9-17(20-13)18(22)21-14-6-3-7-15(11-14)23-16-8-4-10-19-12-16/h2-13H,1H3,(H,21,22);2-10H,1H3,(H,24,26);2-12H,1H3,(H,21,22).
What are the key properties of 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide?
6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide has a molecular weight of 984.01 g/mol, XLogP of 12.43, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-N-(3-fluoro-5-pyrimidin-5-yloxyphenyl)pyridine-2-carboxamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;6-methyl-N-(3-pyridin-3-yloxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 123268019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).