5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

C25H25N3O4 — CID 134807351

IUPAC5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc2c(c1)N(C(=O)Cc1ccc(O)cc1)CCC2
InChIInChI=1S/C25H25N3O4/c29-20-10-8-18(9-11-20)15-24(30)28-13-4-7-22-23(28)16-19(17-27-22)25(31)26-12-14-32-21-5-2-1-3-6-21/h1-3,5-6,8-11,16-17,29H,4,7,12-15H2,(H,26,31)
InChIKeyZMCCVZPYCGWIQH-UHFFFAOYSA-N
MW431.49 g/mol
LogP3.12
Rot. Bonds7

About 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide

5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (PubChem CID 134807351) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
PubChem CID134807351
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCCOc1ccccc1)c1cnc2c(c1)N(C(=O)Cc1ccc(O)cc1)CCC2
InChIInChI=1S/C25H25N3O4/c29-20-10-8-18(9-11-20)15-24(30)28-13-4-7-22-23(28)16-19(17-27-22)25(31)26-12-14-32-21-5-2-1-3-6-21/h1-3,5-6,8-11,16-17,29H,4,7,12-15H2,(H,26,31)
InChIKeyZMCCVZPYCGWIQH-UHFFFAOYSA-N
XLogP3.12
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.12
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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Related Compounds

5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134806783
2-(2-methoxyacetyl)-N-(2-phenoxyethyl)-2,10-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-14-carboxamide
CID 155995270
5-benzyl-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134809976
4-(2-oxopiperidin-1-yl)-N-(2-phenoxyethyl)benzamide
CID 32934030
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(4-phenoxybutyl)benzamide
CID 47013997
1-[7-[(2R)-2-benzylpiperidine-1-carbonyl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 134807345
N-(2-phenoxyethyl)-2-(5,6,7,8-tetrahydroquinolin-4-yloxy)acetamide
CID 90641018
5-chloro-6-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 11713886
5-chloro-6-[4-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]-N-(2-phenoxyethyl)pyridine-3-carboxamide
CID 11721363
1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-yl-3-pyridinyl)urea
CID 86807516
N-[2-(3-aminophenoxy)ethyl]-4-hydroxybenzamide
CID 61031492
5-chloro-N-(2-phenoxyethyl)-6-[4-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxamide
CID 59427442

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide (CID 134807351) is 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is O=C(NCCOc1ccccc1)c1cnc2c(c1)N(C(=O)Cc1ccc(O)cc1)CCC2.
What is the InChIKey of 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
The InChIKey is ZMCCVZPYCGWIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c29-20-10-8-18(9-11-20)15-24(30)28-13-4-7-22-23(28)16-19(17-27-22)25(31)26-12-14-32-21-5-2-1-3-6-21/h1-3,5-6,8-11,16-17,29H,4,7,12-15H2,(H,26,31).
What are the key properties of 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide?
5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-hydroxyphenyl)acetyl]-N-(2-phenoxyethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 134807351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).