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

C27H21FN4 — CID 71618325

IUPAC6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ncc34)cc2)ccn1
InChIInChI=1S/C27H21FN4/c1-18-13-21(9-11-29-18)20-7-5-19(6-8-20)16-32-27-25-17-31-26(15-22(25)10-12-30-27)23-3-2-4-24(28)14-23/h2-15,17H,16H2,1H3,(H,30,32)
InChIKeyLRZFJBHUEAYCHM-UHFFFAOYSA-N
MW420.49 g/mol
LogP6.42
Rot. Bonds5

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

6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (PubChem CID 71618325) has the molecular formula C27H21FN4 and a molecular weight of 420.49 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
PubChem CID71618325
Molecular FormulaC27H21FN4
Molecular Weight420.49 g/mol
Exact Mass420.18
IUPAC Name6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ncc34)cc2)ccn1
InChIInChI=1S/C27H21FN4/c1-18-13-21(9-11-29-18)20-7-5-19(6-8-20)16-32-27-25-17-31-26(15-22(25)10-12-30-27)23-3-2-4-24(28)14-23/h2-15,17H,16H2,1H3,(H,30,32)
InChIKeyLRZFJBHUEAYCHM-UHFFFAOYSA-N
XLogP6.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 56.42
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-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The IUPAC name of 6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine (CID 71618325) is 6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The canonical SMILES for 6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is Cc1cc(-c2ccc(CNc3nccc4cc(-c5cccc(F)c5)ncc34)cc2)ccn1.
What is the InChIKey of 6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
The InChIKey is LRZFJBHUEAYCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4/c1-18-13-21(9-11-29-18)20-7-5-19(6-8-20)16-32-27-25-17-31-26(15-22(25)10-12-30-27)23-3-2-4-24(28)14-23/h2-15,17H,16H2,1H3,(H,30,32).
What are the key properties of 6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine?
6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine has a molecular weight of 420.49 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine is sourced from PubChem (CID 71618325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).