6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine

C28H23FN4 — CID 175275331

IUPAC6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CCNc3nccc4cc(-c5cccc(F)c5)ncc34)cc2)ccn1
InChIInChI=1S/C28H23FN4/c1-19-15-22(10-13-30-19)21-7-5-20(6-8-21)9-12-31-28-26-18-33-27(17-23(26)11-14-32-28)24-3-2-4-25(29)16-24/h2-8,10-11,13-18H,9,12H2,1H3,(H,31,32)
InChIKeyWQVJVUHZEHYUCF-UHFFFAOYSA-N
MW434.52 g/mol
LogP6.46
Rot. Bonds6

About 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine

6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine (PubChem CID 175275331) has the molecular formula C28H23FN4 and a molecular weight of 434.52 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
PubChem CID175275331
Molecular FormulaC28H23FN4
Molecular Weight434.52 g/mol
Exact Mass434.19
IUPAC Name6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CCNc3nccc4cc(-c5cccc(F)c5)ncc34)cc2)ccn1
InChIInChI=1S/C28H23FN4/c1-19-15-22(10-13-30-19)21-7-5-20(6-8-21)9-12-31-28-26-18-33-27(17-23(26)11-14-32-28)24-3-2-4-25(29)16-24/h2-8,10-11,13-18H,9,12H2,1H3,(H,31,32)
InChIKeyWQVJVUHZEHYUCF-UHFFFAOYSA-N
XLogP6.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine (CID 175275331) is 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CCNc3nccc4cc(-c5cccc(F)c5)ncc34)cc2)ccn1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine?
The InChIKey is WQVJVUHZEHYUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4/c1-19-15-22(10-13-30-19)21-7-5-20(6-8-21)9-12-31-28-26-18-33-27(17-23(26)11-14-32-28)24-3-2-4-25(29)16-24/h2-8,10-11,13-18H,9,12H2,1H3,(H,31,32).
What are the key properties of 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine?
6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine has a molecular weight of 434.52 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 175275331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).