4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate

C76H73F3N10O10 — CID 158315537

IUPAC4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C#N)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1.CCOC(=O)C1CCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1.NC(=O)c1cc(N2CCC(C(N)=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H26FN3O4.C26H24FN3O3.C24H23FN4O3/c1-2-33-26(32)18-11-13-30(14-12-18)20-15-23(29-24(16-20)25(28)31)17-3-7-21(8-4-17)34-22-9-5-19(27)6-10-22;1-2-32-26(31)19-11-13-30(14-12-19)22-15-21(17-28)29-25(16-22)18-3-7-23(8-4-18)33-24-9-5-20(27)6-10-24;25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(28-21)24(27)31)29-11-9-16(10-12-29)23(26)30/h3-10,15-16,18H,2,11-14H2,1H3,(H2,28,31);3-10,15-16,19H,2,11-14H2,1H3;1-8,13-14,16H,9-12H2,(H2,26,30)(H2,27,31)
InChIKeyGOFFOMQLADLJND-UHFFFAOYSA-N
MW1343.47 g/mol
LogP13.37
Rot. Bonds19

About 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate

4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate (PubChem CID 158315537) has the molecular formula C76H73F3N10O10 and a molecular weight of 1343.47 g/mol. Its IUPAC name is 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate
PubChem CID158315537
Molecular FormulaC76H73F3N10O10
Molecular Weight1343.47 g/mol
Exact Mass1342.55
IUPAC Name4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2cc(C#N)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1.CCOC(=O)C1CCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1.NC(=O)c1cc(N2CCC(C(N)=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H26FN3O4.C26H24FN3O3.C24H23FN4O3/c1-2-33-26(32)18-11-13-30(14-12-18)20-15-23(29-24(16-20)25(28)31)17-3-7-21(8-4-17)34-22-9-5-19(27)6-10-22;1-2-32-26(31)19-11-13-30(14-12-19)22-15-21(17-28)29-25(16-22)18-3-7-23(8-4-18)33-24-9-5-20(27)6-10-24;25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(28-21)24(27)31)29-11-9-16(10-12-29)23(26)30/h3-10,15-16,18H,2,11-14H2,1H3,(H2,28,31);3-10,15-16,19H,2,11-14H2,1H3;1-8,13-14,16H,9-12H2,(H2,26,30)(H2,27,31)
InChIKeyGOFFOMQLADLJND-UHFFFAOYSA-N
XLogP13.37
TPSA281.74 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001343.47
LogP ≤ 513.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate with MolForge

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Related Compounds

4-[[1-(2-Amino-2-oxoethyl)piperidin-4-yl]methylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943489
4-(4-Carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943519
4-[N-(2-cyanoethyl)anilino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943457
1-[2-Carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylic acid
CID 56943522
6-[4-(4-cyanophenoxy)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 66799597
[6-[4-(4-Fluorophenoxy)phenyl]-4-piperazin-1-yl-2-pyridinyl]-piperazin-1-ylmethanone
CID 56943142
4-[4-(2-Amino-2-oxoethyl)piperazin-1-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56943118
4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799553
Tert-butyl 4-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperazine-1-carboxylate
CID 66806378
Ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate
CID 66806431
N-[4-(4-cyanophenoxy)-3-[2-(4-cyanophenoxy)-5-[[5-[4-(4-fluorophenoxy)piperidine-1-carbonyl]pyridine-2-carbonyl]amino]cyclohexyl]cyclohexyl]-5-[4-(4-fluorobenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 123424078
6-[4-(4-fluorophenoxy)phenyl]-4-[N-(2-isocyanoethyl)anilino]pyridine-2-carboxamide
CID 123477277

Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate?
The IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate (CID 158315537) is 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate.
What is the SMILES notation for 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate?
The canonical SMILES for 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2cc(C#N)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1.CCOC(=O)C1CCN(c2cc(C(N)=O)nc(-c3ccc(Oc4ccc(F)cc4)cc3)c2)CC1.NC(=O)c1cc(N2CCC(C(N)=O)CC2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate?
The InChIKey is GOFFOMQLADLJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4.C26H24FN3O3.C24H23FN4O3/c1-2-33-26(32)18-11-13-30(14-12-18)20-15-23(29-24(16-20)25(28)31)17-3-7-21(8-4-17)34-22-9-5-19(27)6-10-22;1-2-32-26(31)19-11-13-30(14-12-19)22-15-21(17-28)29-25(16-22)18-3-7-23(8-4-18)33-24-9-5-20(27)6-10-24;25-17-3-7-20(8-4-17)32-19-5-1-15(2-6-19)21-13-18(14-22(28-21)24(27)31)29-11-9-16(10-12-29)23(26)30/h3-10,15-16,18H,2,11-14H2,1H3,(H2,28,31);3-10,15-16,19H,2,11-14H2,1H3;1-8,13-14,16H,9-12H2,(H2,26,30)(H2,27,31).
What are the key properties of 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate?
4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate has a molecular weight of 1343.47 g/mol, XLogP of 13.37, 19 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylpiperidin-1-yl)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide;ethyl 1-[2-carbamoyl-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate;ethyl 1-[2-cyano-6-[4-(4-fluorophenoxy)phenyl]-4-pyridinyl]piperidine-4-carboxylate is sourced from PubChem (CID 158315537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).