N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide

C29H24F3N5O — CID 162559190

IUPACN-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide
SMILESN/C(=N\c1ccc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C29H24F3N5O/c30-29(31,32)23-8-4-5-9-24(23)36-27(33)37-25-15-12-20(18-34-25)19-10-13-22(14-11-19)35-26(38)28(16-17-28)21-6-2-1-3-7-21/h1-15,18H,16-17H2,(H,35,38)(H3,33,34,36,37)
InChIKeyUZRYLJOWPBECHE-UHFFFAOYSA-N
MW515.54 g/mol
LogP6.50
Rot. Bonds6

About N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide

N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 162559190) has the molecular formula C29H24F3N5O and a molecular weight of 515.54 g/mol. Its IUPAC name is N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide
PubChem CID162559190
Molecular FormulaC29H24F3N5O
Molecular Weight515.54 g/mol
Exact Mass515.19
IUPAC NameN-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide
SMILESN/C(=N\c1ccc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cn1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C29H24F3N5O/c30-29(31,32)23-8-4-5-9-24(23)36-27(33)37-25-15-12-20(18-34-25)19-10-13-22(14-11-19)35-26(38)28(16-17-28)21-6-2-1-3-7-21/h1-15,18H,16-17H2,(H,35,38)(H3,33,34,36,37)
InChIKeyUZRYLJOWPBECHE-UHFFFAOYSA-N
XLogP6.50
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.54
LogP ≤ 56.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-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

1-(4-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 113198387
N-[4-(2-methyl-1,3-oxazol-5-yl)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 71898657
1-N-(4-fluorophenyl)-1-N'-[2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108982388
2-(5-methylpyrimidin-2-yl)-1-[2-(trifluoromethyl)phenyl]guanidine
CID 78108578
1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2526231
2-(4-phenylphenyl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26087747
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 67987772
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 80590517
1-phenyl-N-[4-(tetrazol-1-yl)phenyl]cyclopropane-1-carboxamide
CID 26728537
3-amino-3-hydroxyimino-N-[2-(trifluoromethyl)phenyl]propanamide
CID 57365498
1-(4-aminophenyl)-N-phenylcyclopropane-1-carboxamide
CID 99613024
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 3527303

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide (CID 162559190) is N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide is N/C(=N\c1ccc(-c2ccc(NC(=O)C3(c4ccccc4)CC3)cc2)cn1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is UZRYLJOWPBECHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24F3N5O/c30-29(31,32)23-8-4-5-9-24(23)36-27(33)37-25-15-12-20(18-34-25)19-10-13-22(14-11-19)35-26(38)28(16-17-28)21-6-2-1-3-7-21/h1-15,18H,16-17H2,(H,35,38)(H3,33,34,36,37).
What are the key properties of N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide?
N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 515.54 g/mol, XLogP of 6.50, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-[[amino-[2-(trifluoromethyl)anilino]methylidene]amino]-3-pyridinyl]phenyl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 162559190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).