N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

C31H27F3N4O — CID 71544526

IUPACN-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=C(c2ccccc2)c2cccc(Nc3ccc(C(F)(F)F)cn3)c2)CC1)c1cccnc1
InChIInChI=1S/C31H27F3N4O/c32-31(33,34)25-13-16-28(36-20-25)37-27-10-4-8-23(18-27)29(21-6-2-1-3-7-21)22-11-14-26(15-12-22)38-30(39)24-9-5-17-35-19-24/h1-10,13,16-20,26H,11-12,14-15H2,(H,36,37)(H,38,39)/b29-22-
InChIKeyWNVOIUGNMAWLLC-IADYIPOJSA-N
MW528.58 g/mol
LogP7.41
Rot. Bonds6

About N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide

N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (PubChem CID 71544526) has the molecular formula C31H27F3N4O and a molecular weight of 528.58 g/mol. Its IUPAC name is N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
PubChem CID71544526
Molecular FormulaC31H27F3N4O
Molecular Weight528.58 g/mol
Exact Mass528.21
IUPAC NameN-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(=C(c2ccccc2)c2cccc(Nc3ccc(C(F)(F)F)cn3)c2)CC1)c1cccnc1
InChIInChI=1S/C31H27F3N4O/c32-31(33,34)25-13-16-28(36-20-25)37-27-10-4-8-23(18-27)29(21-6-2-1-3-7-21)22-11-14-26(15-12-22)38-30(39)24-9-5-17-35-19-24/h1-10,13,16-20,26H,11-12,14-15H2,(H,36,37)(H,38,39)/b29-22-
InChIKeyWNVOIUGNMAWLLC-IADYIPOJSA-N
XLogP7.41
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.58
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide
CID 89463476
N-[4-[1-[7-[[5-(trifluoromethyl)-2-pyridinyl]oxy]quinolin-5-yl]ethylidene]cyclohexyl]pyridine-3-carboxamide
CID 89462995
N-[6-[3-(trifluoromethyl)anilino]pyridazin-3-yl]pyridine-3-carboxamide
CID 113048977
N-cyclopentylpyridine-3-carboxamide
CID 805532
6-(3-bromoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109152271
N-[(3E)-3-[2-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide
CID 89463218
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
N-cyclopentyl-6-(3-methoxyanilino)pyridine-3-carboxamide
CID 1447829
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
N-[1-[7-(trifluoromethyl)quinolin-4-yl]piperidin-3-yl]pyridine-3-carboxamide
CID 175651784
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-4-carboxamide
CID 71543956
6-(3-acetamidoanilino)-N-cycloheptylpyridine-3-carboxamide
CID 109161071

Frequently Asked Questions

What is the IUPAC name of N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide (CID 71544526) is N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(=C(c2ccccc2)c2cccc(Nc3ccc(C(F)(F)F)cn3)c2)CC1)c1cccnc1.
What is the InChIKey of N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is WNVOIUGNMAWLLC-IADYIPOJSA-N. The full InChI is InChI=1S/C31H27F3N4O/c32-31(33,34)25-13-16-28(36-20-25)37-27-10-4-8-23(18-27)29(21-6-2-1-3-7-21)22-11-14-26(15-12-22)38-30(39)24-9-5-17-35-19-24/h1-10,13,16-20,26H,11-12,14-15H2,(H,36,37)(H,38,39)/b29-22-.
What are the key properties of N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide?
N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 528.58 g/mol, XLogP of 7.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[phenyl-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]methylidene]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 71544526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).