2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

C26H30N4O2 — CID 134805958

IUPAC2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCOCCNC(=O)C1(C)CN(Cc2ccccc2)Cc2ccc(Nc3ccccc3)nc21
InChIInChI=1S/C26H30N4O2/c1-26(25(31)27-15-16-32-2)19-30(17-20-9-5-3-6-10-20)18-21-13-14-23(29-24(21)26)28-22-11-7-4-8-12-22/h3-14H,15-19H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyVQRGGRWRDYAPBF-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.86
Rot. Bonds8

About 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide

2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (PubChem CID 134805958) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
PubChem CID134805958
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCOCCNC(=O)C1(C)CN(Cc2ccccc2)Cc2ccc(Nc3ccccc3)nc21
InChIInChI=1S/C26H30N4O2/c1-26(25(31)27-15-16-32-2)19-30(17-20-9-5-3-6-10-20)18-21-13-14-23(29-24(21)26)28-22-11-7-4-8-12-22/h3-14H,15-19H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyVQRGGRWRDYAPBF-UHFFFAOYSA-N
XLogP3.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide (CID 134805958) is 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is COCCNC(=O)C1(C)CN(Cc2ccccc2)Cc2ccc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The InChIKey is VQRGGRWRDYAPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-26(25(31)27-15-16-32-2)19-30(17-20-9-5-3-6-10-20)18-21-13-14-23(29-24(21)26)28-22-11-7-4-8-12-22/h3-14H,15-19H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-benzyl-N-(2-methoxyethyl)-8-methyl-5,7-dihydro-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 134805958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).