2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

C26H29FN4O2 — CID 134806226

IUPAC2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCOCCN1Cc2ccc(NCc3ccccc3)nc2C(C)(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C26H29FN4O2/c1-26(25(32)29-22-11-9-21(27)10-12-22)18-31(14-15-33-2)17-20-8-13-23(30-24(20)26)28-16-19-6-4-3-5-7-19/h3-13H,14-18H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyJJGSKLSGEUBTLY-UHFFFAOYSA-N
MW448.54 g/mol
LogP4.19
Rot. Bonds8

About 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (PubChem CID 134806226) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
PubChem CID134806226
Molecular FormulaC26H29FN4O2
Molecular Weight448.54 g/mol
Exact Mass448.23
IUPAC Name2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCOCCN1Cc2ccc(NCc3ccccc3)nc2C(C)(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C26H29FN4O2/c1-26(25(32)29-22-11-9-21(27)10-12-22)18-31(14-15-33-2)17-20-8-13-23(30-24(20)26)28-16-19-6-4-3-5-7-19/h3-13H,14-18H2,1-2H3,(H,28,30)(H,29,32)
InChIKeyJJGSKLSGEUBTLY-UHFFFAOYSA-N
XLogP4.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (CID 134806226) is 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is COCCN1Cc2ccc(NCc3ccccc3)nc2C(C)(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The InChIKey is JJGSKLSGEUBTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-26(25(32)29-22-11-9-21(27)10-12-22)18-31(14-15-33-2)17-20-8-13-23(30-24(20)26)28-16-19-6-4-3-5-7-19/h3-13H,14-18H2,1-2H3,(H,28,30)(H,29,32).
What are the key properties of 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(4-fluorophenyl)-6-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 134806226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).