2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine

C20H18F3N3 — CID 130473580

About 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine

2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine (PubChem CID 130473580) has the molecular formula C20H18F3N3 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine.

Molecular Properties

• Compound Name: 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine
• PubChem CID: 130473580
• Molecular Formula: C20H18F3N3
• Molecular Weight: 357.38 g/mol
• Exact Mass: 357.15
• IUPAC Name: 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine
• SMILES: Cc1ccc(CNc2ccc(-c3cncc(F)c3)nc2C(C)(F)F)cc1
• InChI: InChI=1S/C20H18F3N3/c1-13-3-5-14(6-4-13)10-25-18-8-7-17(26-19(18)20(2,22)23)15-9-16(21)12-24-11-15/h3-9,11-12,25H,10H2,1-2H3
• InChIKey: UJUWRPVMZXVJOH-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 37.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	357.38
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine?

The IUPAC name of 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine (CID 130473580) is 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine.

What is the SMILES notation for 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine?

The canonical SMILES for 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine is Cc1ccc(CNc2ccc(-c3cncc(F)c3)nc2C(C)(F)F)cc1.

What is the InChIKey of 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine?

The InChIKey is UJUWRPVMZXVJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3/c1-13-3-5-14(6-4-13)10-25-18-8-7-17(26-19(18)20(2,22)23)15-9-16(21)12-24-11-15/h3-9,11-12,25H,10H2,1-2H3.

What are the key properties of 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine?

2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine has a molecular weight of 357.38 g/mol, XLogP of 5.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 130473580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).