2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine

C19H17F2N3 — CID 134137973

IUPAC2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine
SMILESFc1ccc(CNc2ccc(NCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C19H17F2N3/c20-16-5-1-14(2-6-16)11-22-18-9-10-19(24-13-18)23-12-15-3-7-17(21)8-4-15/h1-10,13,22H,11-12H2,(H,23,24)
InChIKeyUTJXJLBNEWGHFL-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.58
Rot. Bonds6

About 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine

2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine (PubChem CID 134137973) has the molecular formula C19H17F2N3 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine
PubChem CID134137973
Molecular FormulaC19H17F2N3
Molecular Weight325.36 g/mol
Exact Mass325.14
IUPAC Name2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine
SMILESFc1ccc(CNc2ccc(NCc3ccc(F)cc3)nc2)cc1
InChIInChI=1S/C19H17F2N3/c20-16-5-1-14(2-6-16)11-22-18-9-10-19(24-13-18)23-12-15-3-7-17(21)8-4-15/h1-10,13,22H,11-12H2,(H,23,24)
InChIKeyUTJXJLBNEWGHFL-UHFFFAOYSA-N
XLogP4.58
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine (CID 134137973) is 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine is Fc1ccc(CNc2ccc(NCc3ccc(F)cc3)nc2)cc1.
What is the InChIKey of 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine?
The InChIKey is UTJXJLBNEWGHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3/c20-16-5-1-14(2-6-16)11-22-18-9-10-19(24-13-18)23-12-15-3-7-17(21)8-4-15/h1-10,13,22H,11-12H2,(H,23,24).
What are the key properties of 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine?
2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine has a molecular weight of 325.36 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-bis[(4-fluorophenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 134137973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).