2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide

C26H28N4O2 — CID 134807195

IUPAC2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCC1(C(=O)NC2COC2)CN(Cc2ccccc2)Cc2ccc(Nc3ccccc3)nc21
InChIInChI=1S/C26H28N4O2/c1-26(25(31)28-22-16-32-17-22)18-30(14-19-8-4-2-5-9-19)15-20-12-13-23(29-24(20)26)27-21-10-6-3-7-11-21/h2-13,22H,14-18H2,1H3,(H,27,29)(H,28,31)
InChIKeyANGPVZUFJXBEEB-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.61
Rot. Bonds6

About 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide

2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide (PubChem CID 134807195) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide.

Molecular Properties

Compound Name2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide
PubChem CID134807195
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide
SMILESCC1(C(=O)NC2COC2)CN(Cc2ccccc2)Cc2ccc(Nc3ccccc3)nc21
InChIInChI=1S/C26H28N4O2/c1-26(25(31)28-22-16-32-17-22)18-30(14-19-8-4-2-5-9-19)15-20-12-13-23(29-24(20)26)27-21-10-6-3-7-11-21/h2-13,22H,14-18H2,1H3,(H,27,29)(H,28,31)
InChIKeyANGPVZUFJXBEEB-UHFFFAOYSA-N
XLogP3.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The IUPAC name of 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide (CID 134807195) is 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide.
What is the SMILES notation for 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The canonical SMILES for 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide is CC1(C(=O)NC2COC2)CN(Cc2ccccc2)Cc2ccc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
The InChIKey is ANGPVZUFJXBEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-26(25(31)28-22-16-32-17-22)18-30(14-19-8-4-2-5-9-19)15-20-12-13-23(29-24(20)26)27-21-10-6-3-7-11-21/h2-13,22H,14-18H2,1H3,(H,27,29)(H,28,31).
What are the key properties of 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide?
2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-benzyl-8-methyl-N-(oxetan-3-yl)-5,7-dihydro-1,6-naphthyridine-8-carboxamide is sourced from PubChem (CID 134807195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).