N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide

C27H27N3O3 — CID 18387274

IUPACN-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1c(-c2ccccc2)c2cccnc2c(=O)n1CCCCCO
InChIInChI=1S/C27H27N3O3/c31-18-9-3-8-17-30-25(26(32)29-19-20-11-4-1-5-12-20)23(21-13-6-2-7-14-21)22-15-10-16-28-24(22)27(30)33/h1-2,4-7,10-16,31H,3,8-9,17-19H2,(H,29,32)
InChIKeyHWBPYPXDTFEVFN-UHFFFAOYSA-N
MW441.53 g/mol
LogP4.16
Rot. Bonds9

About N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide

N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide (PubChem CID 18387274) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide
PubChem CID18387274
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC NameN-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide
SMILESO=C(NCc1ccccc1)c1c(-c2ccccc2)c2cccnc2c(=O)n1CCCCCO
InChIInChI=1S/C27H27N3O3/c31-18-9-3-8-17-30-25(26(32)29-19-20-11-4-1-5-12-20)23(21-13-6-2-7-14-21)22-15-10-16-28-24(22)27(30)33/h1-2,4-7,10-16,31H,3,8-9,17-19H2,(H,29,32)
InChIKeyHWBPYPXDTFEVFN-UHFFFAOYSA-N
XLogP4.16
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 54.16
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide?
The IUPAC name of N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide (CID 18387274) is N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide.
What is the SMILES notation for N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide?
The canonical SMILES for N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide is O=C(NCc1ccccc1)c1c(-c2ccccc2)c2cccnc2c(=O)n1CCCCCO.
What is the InChIKey of N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide?
The InChIKey is HWBPYPXDTFEVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c31-18-9-3-8-17-30-25(26(32)29-19-20-11-4-1-5-12-20)23(21-13-6-2-7-14-21)22-15-10-16-28-24(22)27(30)33/h1-2,4-7,10-16,31H,3,8-9,17-19H2,(H,29,32).
What are the key properties of N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide?
N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(5-hydroxypentyl)-8-oxo-5-phenyl-1,7-naphthyridine-6-carboxamide is sourced from PubChem (CID 18387274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).