N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C23H19Cl2F3N2O2 — CID 58768998

IUPACN-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C23H19Cl2F3N2O2/c24-18-6-1-15(2-7-18)20(16-3-8-19(25)9-4-16)11-12-29-22(31)17-5-10-21(30-13-17)32-14-23(26,27)28/h1-10,13,20H,11-12,14H2,(H,29,31)
InChIKeyWRDGBTQGQVHCEO-UHFFFAOYSA-N
MW483.32 g/mol
LogP6.28
Rot. Bonds8

About N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 58768998) has the molecular formula C23H19Cl2F3N2O2 and a molecular weight of 483.32 g/mol. Its IUPAC name is N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID58768998
Molecular FormulaC23H19Cl2F3N2O2
Molecular Weight483.32 g/mol
Exact Mass482.08
IUPAC NameN-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C23H19Cl2F3N2O2/c24-18-6-1-15(2-7-18)20(16-3-8-19(25)9-4-16)11-12-29-22(31)17-5-10-21(30-13-17)32-14-23(26,27)28/h1-10,13,20H,11-12,14H2,(H,29,31)
InChIKeyWRDGBTQGQVHCEO-UHFFFAOYSA-N
XLogP6.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.32
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ondelopran
CID 10457387
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
VU0404251
CID 58368068
Hsl-IN-1
CID 132569642
N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
CID 16098344
N-[3,3-Bis-(4-fluorophenyl)-propyl]-6-(2,2,2-trifluoro-ethoxy)-nicotinamide
CID 44475365
Nlx204; nlx204
CID 132256735
(3,4-Dichlorophenyl)-[4-fluoro-4-[(2-pyridin-2-yloxyethylamino)methyl]piperidin-1-yl]methanone
CID 132257275
N-benzyl-6-(3,3,3-trifluoropropoxy)nicotinamide
CID 45487805
N-[4-(2-Chloro-benzyloxy)-phenyl]-nicotinamide
CID 803928
N-[2-(4-chlorophenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 2481263

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 58768998) is N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCCC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is WRDGBTQGQVHCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl2F3N2O2/c24-18-6-1-15(2-7-18)20(16-3-8-19(25)9-4-16)11-12-29-22(31)17-5-10-21(30-13-17)32-14-23(26,27)28/h1-10,13,20H,11-12,14H2,(H,29,31).
What are the key properties of N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 483.32 g/mol, XLogP of 6.28, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-chlorophenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 58768998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).