1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide

C25H21N3O3 — CID 122512396

IUPAC1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
SMILESO=C(NC1CC1)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIInChI=1S/C25H21N3O3/c29-23-20-13-19(17-9-5-2-6-10-17)25(31)28(15-16-7-3-1-4-8-16)21(20)14-26-22(23)24(30)27-18-11-12-18/h1-10,13-14,18,29H,11-12,15H2,(H,27,30)
InChIKeyAZARLTTXCOMWFG-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.71
Rot. Bonds5

About 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide

1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide (PubChem CID 122512396) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
PubChem CID122512396
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide
SMILESO=C(NC1CC1)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O
InChIInChI=1S/C25H21N3O3/c29-23-20-13-19(17-9-5-2-6-10-17)25(31)28(15-16-7-3-1-4-8-16)21(20)14-26-22(23)24(30)27-18-11-12-18/h1-10,13-14,18,29H,11-12,15H2,(H,27,30)
InChIKeyAZARLTTXCOMWFG-UHFFFAOYSA-N
XLogP3.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide?
The IUPAC name of 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide (CID 122512396) is 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide is O=C(NC1CC1)c1ncc2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O.
What is the InChIKey of 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide?
The InChIKey is AZARLTTXCOMWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-23-20-13-19(17-9-5-2-6-10-17)25(31)28(15-16-7-3-1-4-8-16)21(20)14-26-22(23)24(30)27-18-11-12-18/h1-10,13-14,18,29H,11-12,15H2,(H,27,30).
What are the key properties of 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide?
1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclopropyl-5-hydroxy-2-oxo-3-phenyl-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 122512396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).