N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide

C23H27N3O4 — CID 58945810

IUPACN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CN2C(=O)C(C(=O)NC3CCCCC3)C(O)c3cccnc32)cc1
InChIInChI=1S/C23H27N3O4/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16/h5,8-13,16,19-20,27H,2-4,6-7,14H2,1H3,(H,25,28)
InChIKeyAQQXVEXYJHGCFQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.74
Rot. Bonds5

About N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide

N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide (PubChem CID 58945810) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide
PubChem CID58945810
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide
SMILESCOc1ccc(CN2C(=O)C(C(=O)NC3CCCCC3)C(O)c3cccnc32)cc1
InChIInChI=1S/C23H27N3O4/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16/h5,8-13,16,19-20,27H,2-4,6-7,14H2,1H3,(H,25,28)
InChIKeyAQQXVEXYJHGCFQ-UHFFFAOYSA-N
XLogP2.74
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide (CID 58945810) is N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide is COc1ccc(CN2C(=O)C(C(=O)NC3CCCCC3)C(O)c3cccnc32)cc1.
What is the InChIKey of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide?
The InChIKey is AQQXVEXYJHGCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-30-17-11-9-15(10-12-17)14-26-21-18(8-5-13-24-21)20(27)19(23(26)29)22(28)25-16-6-3-2-4-7-16/h5,8-13,16,19-20,27H,2-4,6-7,14H2,1H3,(H,25,28).
What are the key properties of N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide?
N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3,4-dihydro-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 58945810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).