1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

C26H25N3O3 — CID 10274114

IUPAC1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCCOc1cccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1
InChIInChI=1S/C26H25N3O3/c1-4-32-21-11-6-9-19(15-21)18-8-5-10-20(14-18)29-16-23(26(31)28-17(2)3)24(30)22-12-7-13-27-25(22)29/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyKWRKOHJFBNPLNJ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.59
Rot. Bonds6

About 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide

1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 10274114) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
PubChem CID10274114
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
SMILESCCOc1cccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1
InChIInChI=1S/C26H25N3O3/c1-4-32-21-11-6-9-19(15-21)18-8-5-10-20(14-18)29-16-23(26(31)28-17(2)3)24(30)22-12-7-13-27-25(22)29/h5-17H,4H2,1-3H3,(H,28,31)
InChIKeyKWRKOHJFBNPLNJ-UHFFFAOYSA-N
XLogP4.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide (CID 10274114) is 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is CCOc1cccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1.
What is the InChIKey of 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is KWRKOHJFBNPLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-4-32-21-11-6-9-19(15-21)18-8-5-10-20(14-18)29-16-23(26(31)28-17(2)3)24(30)22-12-7-13-27-25(22)29/h5-17H,4H2,1-3H3,(H,28,31).
What are the key properties of 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide?
1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxyphenyl)phenyl]-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 10274114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).