5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide

C40H34Cl2F3N7O6 — CID 66687182

IUPAC5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1.O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCCO)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20ClN3O2.C18H14ClF3N4O4/c23-17-9-7-15(8-10-17)20-12-16(13-26-22(20)28-19-5-3-6-19)21(27)25-14-18-4-1-2-11-24-18;19-12-3-1-10(2-4-12)13-7-11(8-24-16(13)29-6-5-27)15(28)23-9-14-25-17(26-30-14)18(20,21)22/h1-2,4,7-13,19H,3,5-6,14H2,(H,25,27);1-4,7-8,27H,5-6,9H2,(H,23,28)
InChIKeyLNSGKDBALPQRJT-UHFFFAOYSA-N
MW836.65 g/mol
LogP7.76
Rot. Bonds13

About 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide

5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide (PubChem CID 66687182) has the molecular formula C40H34Cl2F3N7O6 and a molecular weight of 836.65 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
PubChem CID66687182
Molecular FormulaC40H34Cl2F3N7O6
Molecular Weight836.65 g/mol
Exact Mass835.19
IUPAC Name5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ccccn1)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1.O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCCO)c(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H20ClN3O2.C18H14ClF3N4O4/c23-17-9-7-15(8-10-17)20-12-16(13-26-22(20)28-19-5-3-6-19)21(27)25-14-18-4-1-2-11-24-18;19-12-3-1-10(2-4-12)13-7-11(8-24-16(13)29-6-5-27)15(28)23-9-14-25-17(26-30-14)18(20,21)22/h1-2,4,7-13,19H,3,5-6,14H2,(H,25,27);1-4,7-8,27H,5-6,9H2,(H,23,28)
InChIKeyLNSGKDBALPQRJT-UHFFFAOYSA-N
XLogP7.76
TPSA174.48 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500836.65
LogP ≤ 57.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-cyclobutyloxy-5-(3,4-difluorophenyl)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929464
5-(3,4-difluorophenyl)-6-(2-methoxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929560
5-(4-chloro-2-fluorophenyl)-6-(2,2,2-trifluoroethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide
CID 56929372
5-(4-chlorophenyl)-6-cyclobutyloxypyridine-3-carboxylic acid
CID 66678618
4-(4-chlorophenyl)-5-(cyclopropylmethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-2-carboxamide;4-(4-chlorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 159153975
5-(4-chlorophenyl)-N-(2-hydroxycyclohexyl)-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 21109622
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 24856919
5-(4-chlorophenyl)-N-[[1-(cyclopropylmethyl)pyrazol-3-yl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56929461
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-3-carboxamide
CID 56928594
5-(4-chlorophenyl)-N-[(3-methoxy-1,2-oxazol-5-yl)methyl]-6-(1,1,1-trifluoropropan-2-yloxy)pyridine-3-carboxamide
CID 66687293
2-cyclopentyloxy-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 91815463
5-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 11952383

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide (CID 66687182) is 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide is O=C(NCc1ccccn1)c1cnc(OC2CCC2)c(-c2ccc(Cl)cc2)c1.O=C(NCc1nc(C(F)(F)F)no1)c1cnc(OCCO)c(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
The InChIKey is LNSGKDBALPQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2.C18H14ClF3N4O4/c23-17-9-7-15(8-10-17)20-12-16(13-26-22(20)28-19-5-3-6-19)21(27)25-14-18-4-1-2-11-24-18;19-12-3-1-10(2-4-12)13-7-11(8-24-16(13)29-6-5-27)15(28)23-9-14-25-17(26-30-14)18(20,21)22/h1-2,4,7-13,19H,3,5-6,14H2,(H,25,27);1-4,7-8,27H,5-6,9H2,(H,23,28).
What are the key properties of 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide?
5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide has a molecular weight of 836.65 g/mol, XLogP of 7.76, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-6-cyclobutyloxy-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide;5-(4-chlorophenyl)-6-(2-hydroxyethoxy)-N-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 66687182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).