5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine

C16H17ClFN3 — CID 114926024

IUPAC5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine
SMILESCN(c1cccc(F)c1)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C16H17ClFN3/c1-21(14-4-2-3-12(18)8-14)16-7-11(15(17)10-20-16)9-19-13-5-6-13/h2-4,7-8,10,13,19H,5-6,9H2,1H3
InChIKeyUUANGGPJYFDATJ-UHFFFAOYSA-N
MW305.78 g/mol
LogP3.89
Rot. Bonds5

About 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine

5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine (PubChem CID 114926024) has the molecular formula C16H17ClFN3 and a molecular weight of 305.78 g/mol. Its IUPAC name is 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine
PubChem CID114926024
Molecular FormulaC16H17ClFN3
Molecular Weight305.78 g/mol
Exact Mass305.11
IUPAC Name5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine
SMILESCN(c1cccc(F)c1)c1cc(CNC2CC2)c(Cl)cn1
InChIInChI=1S/C16H17ClFN3/c1-21(14-4-2-3-12(18)8-14)16-7-11(15(17)10-20-16)9-19-13-5-6-13/h2-4,7-8,10,13,19H,5-6,9H2,1H3
InChIKeyUUANGGPJYFDATJ-UHFFFAOYSA-N
XLogP3.89
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-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

4-chloro-2-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylaniline
CID 114850525
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)pyridin-2-amine
CID 114925957
5-chloro-N-(cyclopentylmethyl)-4-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 114926476
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(oxolan-3-yl)pyridin-2-amine
CID 114926939
5-chloro-4-[(cyclopropylamino)methyl]-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 114925517
5-chloro-4-(ethylaminomethyl)-N-methyl-N-phenylpyridin-2-amine
CID 114924976
5-chloro-N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 114925442
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 114925468
5-chloro-4-(ethylaminomethyl)-N-(3-methoxyphenyl)-N-methylpyridin-2-amine
CID 114925895
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
CID 114926419
5-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(1-thiophen-2-ylethyl)pyridin-2-amine
CID 114925792
2-N-[5-chloro-4-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191574

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine (CID 114926024) is 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine is CN(c1cccc(F)c1)c1cc(CNC2CC2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine?
The InChIKey is UUANGGPJYFDATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN3/c1-21(14-4-2-3-12(18)8-14)16-7-11(15(17)10-20-16)9-19-13-5-6-13/h2-4,7-8,10,13,19H,5-6,9H2,1H3.
What are the key properties of 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine?
5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine has a molecular weight of 305.78 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(cyclopropylamino)methyl]-N-(3-fluorophenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 114926024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).