3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine

C19H18F2N4O — CID 174161470

IUPAC3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
SMILESCOc1ccc(Nc2cncc(Cc3ccnc(N)c3F)c2C)c(F)c1
InChIInChI=1S/C19H18F2N4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-17(11)25-16-4-3-14(26-2)8-15(16)20/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24)
InChIKeyDWOSRIJISPKCOI-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.99
Rot. Bonds5

About 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine

3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine (PubChem CID 174161470) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
PubChem CID174161470
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine
SMILESCOc1ccc(Nc2cncc(Cc3ccnc(N)c3F)c2C)c(F)c1
InChIInChI=1S/C19H18F2N4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-17(11)25-16-4-3-14(26-2)8-15(16)20/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24)
InChIKeyDWOSRIJISPKCOI-UHFFFAOYSA-N
XLogP3.99
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The IUPAC name of 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine (CID 174161470) is 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The canonical SMILES for 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine is COc1ccc(Nc2cncc(Cc3ccnc(N)c3F)c2C)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
The InChIKey is DWOSRIJISPKCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N4O/c1-11-13(7-12-5-6-24-19(22)18(12)21)9-23-10-17(11)25-16-4-3-14(26-2)8-15(16)20/h3-6,8-10,25H,7H2,1-2H3,(H2,22,24).
What are the key properties of 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine?
3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine has a molecular weight of 356.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[5-(2-fluoro-4-methoxyanilino)-4-methyl-3-pyridinyl]methyl]pyridin-2-amine is sourced from PubChem (CID 174161470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).