ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate

C26H25N3O3 — CID 144675088

IUPACethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
SMILESCC.COC(=O)c1cc(-c2ccc(-c3ccc(NC(C)=O)cc3)cc2)nc2ccncc12
InChIInChI=1S/C24H19N3O3.C2H6/c1-15(28)26-19-9-7-17(8-10-19)16-3-5-18(6-4-16)23-13-20(24(29)30-2)21-14-25-12-11-22(21)27-23;1-2/h3-14H,1-2H3,(H,26,28);1-2H3
InChIKeyPXZNHDFPFFMSPD-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.74
Rot. Bonds4

About ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate

ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate (PubChem CID 144675088) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate.

Molecular Properties

Compound Nameethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
PubChem CID144675088
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Nameethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate
SMILESCC.COC(=O)c1cc(-c2ccc(-c3ccc(NC(C)=O)cc3)cc2)nc2ccncc12
InChIInChI=1S/C24H19N3O3.C2H6/c1-15(28)26-19-9-7-17(8-10-19)16-3-5-18(6-4-16)23-13-20(24(29)30-2)21-14-25-12-11-22(21)27-23;1-2/h3-14H,1-2H3,(H,26,28);1-2H3
InChIKeyPXZNHDFPFFMSPD-UHFFFAOYSA-N
XLogP5.74
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methylphenyl)-1,6-naphthyridin-4-yl]ethanone
CID 145465231
methyl 2-[4-[4-(5-methyl-4-oxohexoxy)phenyl]phenyl]-1,6-naphthyridine-4-carboxylate
CID 159798118
methyl 6-bromo-2-pyridin-4-ylquinoline-4-carboxylate
CID 17255626
6-acetamido-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 18073438
7-acetamido-2-(4-ethylphenyl)quinoline-4-carboxylic acid
CID 18073631
2-(4-acetamidophenyl)-N-(4-methoxyphenyl)-6-methylquinoline-4-carboxamide
CID 46375324
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
2-(4-bromo-3-fluorophenyl)-1,6-naphthyridine-4-carboxylic acid;ethane
CID 144674868
6-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073443
7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate?
The IUPAC name of ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate (CID 144675088) is ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate.
What is the SMILES notation for ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate?
The canonical SMILES for ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate is CC.COC(=O)c1cc(-c2ccc(-c3ccc(NC(C)=O)cc3)cc2)nc2ccncc12.
What is the InChIKey of ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate?
The InChIKey is PXZNHDFPFFMSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3.C2H6/c1-15(28)26-19-9-7-17(8-10-19)16-3-5-18(6-4-16)23-13-20(24(29)30-2)21-14-25-12-11-22(21)27-23;1-2/h3-14H,1-2H3,(H,26,28);1-2H3.
What are the key properties of ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate?
ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate has a molecular weight of 427.50 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 2-[4-(4-acetamidophenyl)phenyl]-1,6-naphthyridine-4-carboxylate is sourced from PubChem (CID 144675088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).