2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine

C15H16ClF2N3O2 — CID 142795365

IUPAC2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine
SMILESCOc1cc(OC)c(F)c(NCc2cnc(Cl)c(C)c2N)c1F
InChIInChI=1S/C15H16ClF2N3O2/c1-7-13(19)8(6-21-15(7)16)5-20-14-11(17)9(22-2)4-10(23-3)12(14)18/h4,6,20H,5H2,1-3H3,(H2,19,21)
InChIKeyMAWAHFNQFFEAJM-UHFFFAOYSA-N
MW343.76 g/mol
LogP3.53
Rot. Bonds5

About 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine

2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine (PubChem CID 142795365) has the molecular formula C15H16ClF2N3O2 and a molecular weight of 343.76 g/mol. Its IUPAC name is 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine
PubChem CID142795365
Molecular FormulaC15H16ClF2N3O2
Molecular Weight343.76 g/mol
Exact Mass343.09
IUPAC Name2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine
SMILESCOc1cc(OC)c(F)c(NCc2cnc(Cl)c(C)c2N)c1F
InChIInChI=1S/C15H16ClF2N3O2/c1-7-13(19)8(6-21-15(7)16)5-20-14-11(17)9(22-2)4-10(23-3)12(14)18/h4,6,20H,5H2,1-3H3,(H2,19,21)
InChIKeyMAWAHFNQFFEAJM-UHFFFAOYSA-N
XLogP3.53
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.76
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-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

5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-N-ethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 86705634
2-chloro-3-fluoro-5-methoxypyridin-4-amine
CID 141356822
6-chloro-4-N-[(5-fluoro-4-methoxy-2-methylphenyl)methyl]pyrimidine-2,4,5-triamine
CID 162767108
5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-1-methylphosphanyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridin-4-amine
CID 126763293
2-chloro-4-(difluoromethyl)-5-methoxypyridin-3-amine
CID 130102535
2,6-dichloro-4-fluoro-N-[(2-fluoro-3-methoxyphenyl)methyl]aniline
CID 104792036
2-chloro-5-fluoro-3-(methoxymethyl)pyridine
CID 86626262
5-[(2-chloro-6-fluoro-3,5-dimethoxyanilino)methyl]-N-[cyclobutyl(2-trimethylsilylethoxy)methyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 90021997
2-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methylpyridin-3-amine
CID 65482959
2-chloro-3,6-difluoro-4-methoxyaniline
CID 106701641
4-chloro-7,8-difluoro-6-methoxy-3-methylquinoline
CID 171373414
2-(difluoromethyl)-4-fluoro-5-methoxypyridin-3-amine
CID 130103884

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine?
The IUPAC name of 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine (CID 142795365) is 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine is COc1cc(OC)c(F)c(NCc2cnc(Cl)c(C)c2N)c1F.
What is the InChIKey of 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine?
The InChIKey is MAWAHFNQFFEAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF2N3O2/c1-7-13(19)8(6-21-15(7)16)5-20-14-11(17)9(22-2)4-10(23-3)12(14)18/h4,6,20H,5H2,1-3H3,(H2,19,21).
What are the key properties of 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine?
2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine has a molecular weight of 343.76 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,6-difluoro-3,5-dimethoxyanilino)methyl]-3-methylpyridin-4-amine is sourced from PubChem (CID 142795365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).