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

C67H60F6N8O7 — CID 157267737

IUPAC2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
SMILESCC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.O=C(O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
InChIInChI=1S/C34H31F3N4O3.C33H29F3N4O4/c1-22(42)24-8-6-9-25(18-24)33(44)40-30-12-11-28(41-15-3-2-4-16-41)20-29(30)31-19-26(13-14-38-31)32(43)39-21-23-7-5-10-27(17-23)34(35,36)37;34-33(35,36)25-9-4-6-21(16-25)20-38-30(41)23-12-13-37-29(18-23)27-19-26(40-14-2-1-3-15-40)10-11-28(27)39-31(42)22-7-5-8-24(17-22)32(43)44/h5-14,17-20H,2-4,15-16,21H2,1H3,(H,39,43)(H,40,44);4-13,16-19H,1-3,14-15,20H2,(H,38,41)(H,39,42)(H,43,44)
InChIKeyAYEMOGSCAJYRNO-UHFFFAOYSA-N
MW1203.25 g/mol
LogP13.78
Rot. Bonds16

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

2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid (PubChem CID 157267737) has the molecular formula C67H60F6N8O7 and a molecular weight of 1203.25 g/mol. Its IUPAC name is 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
PubChem CID157267737
Molecular FormulaC67H60F6N8O7
Molecular Weight1203.25 g/mol
Exact Mass1202.45
IUPAC Name2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid
SMILESCC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.O=C(O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1
InChIInChI=1S/C34H31F3N4O3.C33H29F3N4O4/c1-22(42)24-8-6-9-25(18-24)33(44)40-30-12-11-28(41-15-3-2-4-16-41)20-29(30)31-19-26(13-14-38-31)32(43)39-21-23-7-5-10-27(17-23)34(35,36)37;34-33(35,36)25-9-4-6-21(16-25)20-38-30(41)23-12-13-37-29(18-23)27-19-26(40-14-2-1-3-15-40)10-11-28(27)39-31(42)22-7-5-8-24(17-22)32(43)44/h5-14,17-20H,2-4,15-16,21H2,1H3,(H,39,43)(H,40,44);4-13,16-19H,1-3,14-15,20H2,(H,38,41)(H,39,42)(H,43,44)
InChIKeyAYEMOGSCAJYRNO-UHFFFAOYSA-N
XLogP13.78
TPSA203.03 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001203.25
LogP ≤ 513.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]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]sulfanylmethyl]benzoic acid
CID 56966217
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]phenyl]methylsulfanylmethyl]benzoic acid
CID 66586740
3-(3-(4-(Piperidin-1-yl)-2-(4-(3-(trifluoromethyl)-benzylcarbamoyl)pyridin-2-yl)phenylcarbamoyl)benzylthio)benzoic acid
CID 66586759
3-((2-(4-((3-(Trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)-4-(piperidin-1-yl)phenyl)carbamoyl)benzoic acid
CID 66586784
Methyl 3-((2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)-4-(piperidin-1-yl)phenyl)carbamoyl)benzoate
CID 66586816
3-((4-(Diethylamino)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)carbamoyl)benzoic acid
CID 66586873
Tert-butyl 3-((4-(diethylamino)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl) pyridin-2-yl)phenyl)carbamoyl)benzoate
CID 66586978
3-[[Methyl-[3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]benzoyl]amino]methyl]benzoic acid
CID 66587941
2-[2-[[3-(2-amino-2-methyl-4-pyridin-2-ylbutanoyl)benzoyl]amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 66588062
2-(2-(3-((4-(2-Hydroxyethyl)piperidin-1-yl)methyl)benzamido)-5-(piperidin-1-yl)phenyl)-N-(3-(trifluoromethyl)benzyl)isonicotinamide
CID 66588084
4-[1-[3-[[4-Piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyridin-2-yl]phenyl]carbamoyl]benzoyl]piperidin-4-yl]butanoic acid
CID 66588099

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid (CID 157267737) is 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid is CC(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.O=C(O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1.
What is the InChIKey of 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?
The InChIKey is AYEMOGSCAJYRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H31F3N4O3.C33H29F3N4O4/c1-22(42)24-8-6-9-25(18-24)33(44)40-30-12-11-28(41-15-3-2-4-16-41)20-29(30)31-19-26(13-14-38-31)32(43)39-21-23-7-5-10-27(17-23)34(35,36)37;34-33(35,36)25-9-4-6-21(16-25)20-38-30(41)23-12-13-37-29(18-23)27-19-26(40-14-2-1-3-15-40)10-11-28(27)39-31(42)22-7-5-8-24(17-22)32(43)44/h5-14,17-20H,2-4,15-16,21H2,1H3,(H,39,43)(H,40,44);4-13,16-19H,1-3,14-15,20H2,(H,38,41)(H,39,42)(H,43,44).
What are the key properties of 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid?
2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid has a molecular weight of 1203.25 g/mol, XLogP of 13.78, 16 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-acetylbenzoyl)amino]-5-piperidin-1-ylphenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide;3-[[4-piperidin-1-yl-2-[4-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]-2-pyridinyl]phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 157267737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).