2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid

C97H89F9N12O9 — CID 158717421

IUPAC2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid
SMILESNc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1.O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(O)c2)c1.O=C(O)c1cccc(COc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1
InChIInChI=1S/C40H35F3N4O5.C32H29F3N4O3.C25H25F3N4O/c41-40(42,43)31-11-5-7-26(20-31)24-45-37(48)29-15-16-44-36(22-29)34-23-32(47-17-2-1-3-18-47)13-14-35(34)46-38(49)28-9-6-12-33(21-28)52-25-27-8-4-10-30(19-27)39(50)51;33-32(34,35)24-8-4-6-21(16-24)20-37-30(41)23-12-13-36-29(18-23)27-19-25(39-14-2-1-3-15-39)10-11-28(27)38-31(42)22-7-5-9-26(40)17-22;26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32/h4-16,19-23H,1-3,17-18,24-25H2,(H,45,48)(H,46,49)(H,50,51);4-13,16-19,40H,1-3,14-15,20H2,(H,37,41)(H,38,42);4-10,13-15H,1-3,11-12,16,29H2,(H,31,33)
InChIKeyIJMKPNGADUDJKM-UHFFFAOYSA-N
MW1737.84 g/mol
LogP20.13
Rot. Bonds23

About 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid

2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid (PubChem CID 158717421) has the molecular formula C97H89F9N12O9 and a molecular weight of 1737.84 g/mol. Its IUPAC name is 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid
PubChem CID158717421
Molecular FormulaC97H89F9N12O9
Molecular Weight1737.84 g/mol
Exact Mass1736.67
IUPAC Name2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid
SMILESNc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1.O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(O)c2)c1.O=C(O)c1cccc(COc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1
InChIInChI=1S/C40H35F3N4O5.C32H29F3N4O3.C25H25F3N4O/c41-40(42,43)31-11-5-7-26(20-31)24-45-37(48)29-15-16-44-36(22-29)34-23-32(47-17-2-1-3-18-47)13-14-35(34)46-38(49)28-9-6-12-33(21-28)52-25-27-8-4-10-30(19-27)39(50)51;33-32(34,35)24-8-4-6-21(16-24)20-37-30(41)23-12-13-36-29(18-23)27-19-25(39-14-2-1-3-15-39)10-11-28(27)38-31(42)22-7-5-9-26(40)17-22;26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32/h4-16,19-23H,1-3,17-18,24-25H2,(H,45,48)(H,46,49)(H,50,51);4-13,16-19,40H,1-3,14-15,20H2,(H,37,41)(H,38,42);4-10,13-15H,1-3,11-12,16,29H2,(H,31,33)
InChIKeyIJMKPNGADUDJKM-UHFFFAOYSA-N
XLogP20.13
TPSA286.67 Ų
H-Bond Donors8
H-Bond Acceptors15
Rotatable Bonds23
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001737.84
LogP ≤ 520.13
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid with MolForge

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Related Compounds

3-[[3-[[4-Piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]phenyl]methoxymethyl]benzoic acid
CID 56966218
3-[[3-[[4-Piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid
CID 69631542
2-(5-(diethylamino)-2-(3-(16-(4-(4-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)phenyl)piperazin-1-yl)-16-oxo-4,7,10,13-tetraoxahexadecyl)benzamido)phenyl)-N-(3-(trifluoromethyl)benzyl)isonicotinamide
CID 87924294
5-methoxy-3-N-methyl-3-N-(2-morpholin-4-ylethyl)-1-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]benzene-1,3-dicarboxamide
CID 89936714
5-methoxy-3-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]-1-N-propylbenzene-1,3-dicarboxamide
CID 123533038
5-methoxy-1-N-(2-morpholin-4-ylethyl)-3-N-[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]benzene-1,3-dicarboxamide
CID 123992147
3-[[3-[[2-[4-[[4-Fluoro-3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyridin-2-yl]-4-piperidin-1-ylphenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid
CID 132112624
3-[[3-[[4-Piperidin-1-yl-2-[4-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoic acid
CID 132112665
3-[[4-[[4-Piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid
CID 140231224
Bis(4-fluoro-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-5-[[5-pyridin-2-yl-3-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid);methyl 4-fluoro-5-[[5-iodo-3-(trifluoromethyl)-2-pyridinyl]oxy]-2-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]benzoate
CID 157330561
Tert-butyl 3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methylsulfanyl]propanoate;methyl 2-(2-amino-5-piperidin-1-ylphenyl)pyridine-4-carboxylate;methyl 2-[2-[[3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfanylmethyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylate;2-[2-[[3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]sulfanylmethyl]benzoyl]amino]-5-piperidin-1-ylphenyl]pyridine-4-carboxylic acid
CID 157550264
2-[2-[[3-(chloromethyl)benzoyl]amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;ethyl 2-[3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenyl]methylsulfanyl]phenoxy]acetate;2-[2-[[3-[(3-hydroxyphenyl)sulfanylmethyl]benzoyl]amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 157795144

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid?
The IUPAC name of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid (CID 158717421) is 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid?
The canonical SMILES for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid is Nc1ccc(N2CCCCC2)cc1-c1cc(C(=O)NCc2cccc(C(F)(F)F)c2)ccn1.O=C(NCc1cccc(C(F)(F)F)c1)c1ccnc(-c2cc(N3CCCCC3)ccc2NC(=O)c2cccc(O)c2)c1.O=C(O)c1cccc(COc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3-c3cc(C(=O)NCc4cccc(C(F)(F)F)c4)ccn3)c2)c1.
What is the InChIKey of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid?
The InChIKey is IJMKPNGADUDJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H35F3N4O5.C32H29F3N4O3.C25H25F3N4O/c41-40(42,43)31-11-5-7-26(20-31)24-45-37(48)29-15-16-44-36(22-29)34-23-32(47-17-2-1-3-18-47)13-14-35(34)46-38(49)28-9-6-12-33(21-28)52-25-27-8-4-10-30(19-27)39(50)51;33-32(34,35)24-8-4-6-21(16-24)20-37-30(41)23-12-13-36-29(18-23)27-19-25(39-14-2-1-3-15-39)10-11-28(27)38-31(42)22-7-5-9-26(40)17-22;26-25(27,28)19-6-4-5-17(13-19)16-31-24(33)18-9-10-30-23(14-18)21-15-20(7-8-22(21)29)32-11-2-1-3-12-32/h4-16,19-23H,1-3,17-18,24-25H2,(H,45,48)(H,46,49)(H,50,51);4-13,16-19,40H,1-3,14-15,20H2,(H,37,41)(H,38,42);4-10,13-15H,1-3,11-12,16,29H2,(H,31,33).
What are the key properties of 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid?
2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid has a molecular weight of 1737.84 g/mol, XLogP of 20.13, 23 rotatable bonds, 8 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-piperidin-1-ylphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;2-[2-[(3-hydroxybenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 158717421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).