3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine

C18H13ClF3N3O — CID 56739499

IUPAC3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(Oc2ncccc2CNc2ncccc2Cl)c1
InChIInChI=1S/C18H13ClF3N3O/c19-15-7-3-8-23-16(15)25-11-12-4-2-9-24-17(12)26-14-6-1-5-13(10-14)18(20,21)22/h1-10H,11H2,(H,23,25)
InChIKeyOBFYQNWOKVFJGQ-UHFFFAOYSA-N
MW379.77 g/mol
LogP5.55
Rot. Bonds5

About 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine

3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 56739499) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID56739499
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC Name3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine
SMILESFC(F)(F)c1cccc(Oc2ncccc2CNc2ncccc2Cl)c1
InChIInChI=1S/C18H13ClF3N3O/c19-15-7-3-8-23-16(15)25-11-12-4-2-9-24-17(12)26-14-6-1-5-13(10-14)18(20,21)22/h1-10H,11H2,(H,23,25)
InChIKeyOBFYQNWOKVFJGQ-UHFFFAOYSA-N
XLogP5.55
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.77
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine 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

6-amino-5-chloro-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 89463663
N-(trans-4-(aminomethyl)cyclohexyl)-5'-chloro-6-(3-fluorobenzyloxy)-2,4'-bipyridin-2'-amine
CID 66937029
4-N-[5-chloro-4-[6-[[3-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405068
4-N-[5-chloro-4-[6-[(3-methoxyphenyl)methylamino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405073
4-N-[5-chloro-4-[6-[(3-fluorophenyl)methoxy]-2-pyridinyl]-2-pyridinyl]cyclohexane-1,4-diamine
CID 68405497
N-[4-(aminomethyl)cyclohexyl]-5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-amine
CID 68405504
4-N-[5-chloro-4-[6-[[4-(trifluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405528
4-N-[5-chloro-4-[6-[[4-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 68405530
4-N-[5-chloro-4-[6-[[3-(difluoromethoxy)phenyl]methylamino]pyridin-2-yl]pyridin-2-yl]cyclohexane-1,4-diamine
CID 70793961
4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-2-ylpiperazine-1-carboxamide
CID 71458755
6-chloro-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-4-(2,4,6-trimethylphenoxy)pyridin-2-amine
CID 134137225
5-chloro-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 164625201

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine (CID 56739499) is 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine is FC(F)(F)c1cccc(Oc2ncccc2CNc2ncccc2Cl)c1.
What is the InChIKey of 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is OBFYQNWOKVFJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O/c19-15-7-3-8-23-16(15)25-11-12-4-2-9-24-17(12)26-14-6-1-5-13(10-14)18(20,21)22/h1-10H,11H2,(H,23,25).
What are the key properties of 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine?
3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 379.77 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 56739499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).