1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C20H21N3O3 — CID 1073145

IUPAC1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H21N3O3/c1-4-23-12-17(18(24)16-10-5-13(2)22-19(16)23)20(25)21-11-14-6-8-15(26-3)9-7-14/h5-10,12H,4,11H2,1-3H3,(H,21,25)
InChIKeyIDOVWFXQDKYGCS-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.66
Rot. Bonds5

About 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 1073145) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID1073145
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C20H21N3O3/c1-4-23-12-17(18(24)16-10-5-13(2)22-19(16)23)20(25)21-11-14-6-8-15(26-3)9-7-14/h5-10,12H,4,11H2,1-3H3,(H,21,25)
InChIKeyIDOVWFXQDKYGCS-UHFFFAOYSA-N
XLogP2.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 1073145) is 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCc2ccc(OC)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is IDOVWFXQDKYGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-4-23-12-17(18(24)16-10-5-13(2)22-19(16)23)20(25)21-11-14-6-8-15(26-3)9-7-14/h5-10,12H,4,11H2,1-3H3,(H,21,25).
What are the key properties of 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-methoxyphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 1073145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).