N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide

C20H16ClF3N4O2 — CID 147121475

IUPACN-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NN=c1ccccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C20H16ClF3N4O2/c21-17-9-6-15(12-25-17)13-28-10-2-1-3-18(28)26-27-19(29)11-14-4-7-16(8-5-14)30-20(22,23)24/h1-10,12H,11,13H2,(H,27,29)
InChIKeyBOLFAYSBNFHAJF-UHFFFAOYSA-N
MW436.82 g/mol
LogP3.66
Rot. Bonds6

About N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 147121475) has the molecular formula C20H16ClF3N4O2 and a molecular weight of 436.82 g/mol. Its IUPAC name is N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID147121475
Molecular FormulaC20H16ClF3N4O2
Molecular Weight436.82 g/mol
Exact Mass436.09
IUPAC NameN-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)NN=c1ccccn1Cc1ccc(Cl)nc1
InChIInChI=1S/C20H16ClF3N4O2/c21-17-9-6-15(12-25-17)13-28-10-2-1-3-18(28)26-27-19(29)11-14-4-7-16(8-5-14)30-20(22,23)24/h1-10,12H,11,13H2,(H,27,29)
InChIKeyBOLFAYSBNFHAJF-UHFFFAOYSA-N
XLogP3.66
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.82
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 147121475) is N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)NN=c1ccccn1Cc1ccc(Cl)nc1.
What is the InChIKey of N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is BOLFAYSBNFHAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF3N4O2/c21-17-9-6-15(12-25-17)13-28-10-2-1-3-18(28)26-27-19(29)11-14-4-7-16(8-5-14)30-20(22,23)24/h1-10,12H,11,13H2,(H,27,29).
What are the key properties of N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 436.82 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(6-chloro-3-pyridinyl)methyl]-2-pyridinylidene]amino]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 147121475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).