5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C56H63F3N8O5 — CID 157395037

IUPAC5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)nc1.Cc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)cc1.O=C(Nc1ccc(C2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H20F3N3O2.C19H23N3O2.C18H20N2O/c20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14;1-2-24-17-9-10-18(21-13-17)19(23)22-16-7-5-14(6-8-16)15-4-3-11-20-12-15;1-13-2-4-15(5-3-13)18(21)20-17-8-6-14(7-9-17)16-10-11-19-12-16/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26);5-10,13,15,20H,2-4,11-12H2,1H3,(H,22,23);2-9,16,19H,10-12H2,1H3,(H,20,21)
InChIKeyBMLVKNURVHEKNY-UHFFFAOYSA-N
MW985.17 g/mol
LogP10.27
Rot. Bonds13

About 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 157395037) has the molecular formula C56H63F3N8O5 and a molecular weight of 985.17 g/mol. Its IUPAC name is 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID157395037
Molecular FormulaC56H63F3N8O5
Molecular Weight985.17 g/mol
Exact Mass984.49
IUPAC Name5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)nc1.Cc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)cc1.O=C(Nc1ccc(C2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C19H20F3N3O2.C19H23N3O2.C18H20N2O/c20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14;1-2-24-17-9-10-18(21-13-17)19(23)22-16-7-5-14(6-8-16)15-4-3-11-20-12-15;1-13-2-4-15(5-3-13)18(21)20-17-8-6-14(7-9-17)16-10-11-19-12-16/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26);5-10,13,15,20H,2-4,11-12H2,1H3,(H,22,23);2-9,16,19H,10-12H2,1H3,(H,20,21)
InChIKeyBMLVKNURVHEKNY-UHFFFAOYSA-N
XLogP10.27
TPSA167.63 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500985.17
LogP ≤ 510.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710384
5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide
CID 53252039
6-(4-(2,4-difluorobenzoyl) piperidine-1-carbonyl)-N-(6-(4-(dimethylcarbamoyl) phenoxy)pyridin-3-yl)nicotinamide
CID 66710329
N-(6-(4-fluorophenoxy)pyridin-3-yl)-6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710400
N-(6-(4-fluorophenoxy)pyridin-3-yl)-5-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)picolinamide
CID 66710458
N-(6-(4-fluorophenoxy)pyridin-3-yl)-6-(4-(4-(4-methylpiperazin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710727
N-(6-(4-fluorophenoxy)pyridin-3-yl)-5-(4-(4-morpholinobenzoyl) piperidine-1-carbonyl)picolinamide
CID 66710846
N-(4-piperidin-3-ylphenyl)-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 67241653
6-(4-(4-(4-methylpiperazin-1-yl)benzoyl)piperidine-1-carbonyl)-N-(1-(4-(trifluoromethoxy) benzyl)piperidin-4-yl)nicotinamide
CID 66710318
N-(1-(4-isopropoxybenzyl) piperidin-4-yl)-6-(4-(4-(pyrrolidin-1-yl)benzoyl)piperidine-1-carbonyl)nicotinamide
CID 66710454
N-(6-(4-acetylphenoxy)pyridin-3-yl)-6-(4-(4-(isopropylsulfonyl)phenyl)piperazine-1-carbonyl)nicotinamide
CID 146676219
N-[(3R)-1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-5-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 42628954

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 157395037) is 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(C3CCCNC3)cc2)nc1.Cc1ccc(C(=O)Nc2ccc(C3CCNC3)cc2)cc1.O=C(Nc1ccc(C2CCCNC2)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is BMLVKNURVHEKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2.C19H23N3O2.C18H20N2O/c20-19(21,22)12-27-17-8-5-15(11-24-17)18(26)25-16-6-3-13(4-7-16)14-2-1-9-23-10-14;1-2-24-17-9-10-18(21-13-17)19(23)22-16-7-5-14(6-8-16)15-4-3-11-20-12-15;1-13-2-4-15(5-3-13)18(21)20-17-8-6-14(7-9-17)16-10-11-19-12-16/h3-8,11,14,23H,1-2,9-10,12H2,(H,25,26);5-10,13,15,20H,2-4,11-12H2,1H3,(H,22,23);2-9,16,19H,10-12H2,1H3,(H,20,21).
What are the key properties of 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 985.17 g/mol, XLogP of 10.27, 13 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-(4-piperidin-3-ylphenyl)pyridine-2-carboxamide;4-methyl-N-(4-pyrrolidin-3-ylphenyl)benzamide;N-(4-piperidin-3-ylphenyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 157395037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).