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

C20H18F3N3 — CID 130473580

IUPAC2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2ccc(-c3cncc(F)c3)nc2C(C)(F)F)cc1
InChIInChI=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
InChIKeyUJUWRPVMZXVJOH-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.31
Rot. Bonds5

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 Name2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine
PubChem CID130473580
Molecular FormulaC20H18F3N3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)-N-[(4-methylphenyl)methyl]pyridin-3-amine
SMILESCc1ccc(CNc2ccc(-c3cncc(F)c3)nc2C(C)(F)F)cc1
InChIInChI=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
InChIKeyUJUWRPVMZXVJOH-UHFFFAOYSA-N
XLogP5.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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).