7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide

C23H25N3O4 — CID 54681849

IUPAC7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O
InChIInChI=1S/C23H25N3O4/c1-30-10-9-24-22(28)19-21(27)20-18(26(23(19)29)14-16-7-8-16)12-17(13-25-20)11-15-5-3-2-4-6-15/h2-6,12-13,16,27H,7-11,14H2,1H3,(H,24,28)
InChIKeyXKAPLMAYLQPZIF-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.48
Rot. Bonds8

About 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide

7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 54681849) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID54681849
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O
InChIInChI=1S/C23H25N3O4/c1-30-10-9-24-22(28)19-21(27)20-18(26(23(19)29)14-16-7-8-16)12-17(13-25-20)11-15-5-3-2-4-6-15/h2-6,12-13,16,27H,7-11,14H2,1H3,(H,24,28)
InChIKeyXKAPLMAYLQPZIF-UHFFFAOYSA-N
XLogP2.48
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 54681849) is 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O.
What is the InChIKey of 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is XKAPLMAYLQPZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-30-10-9-24-22(28)19-21(27)20-18(26(23(19)29)14-16-7-8-16)12-17(13-25-20)11-15-5-3-2-4-6-15/h2-6,12-13,16,27H,7-11,14H2,1H3,(H,24,28).
What are the key properties of 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 407.47 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-(cyclopropylmethyl)-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54681849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).