1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C21H23N3O3 — CID 2470993

IUPAC1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccc(OC)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H23N3O3/c1-4-24-13-18(19(25)17-10-5-14(2)23-20(17)24)21(26)22-12-11-15-6-8-16(27-3)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)
InChIKeyYTISRKNDCUBECH-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.71
Rot. Bonds6

About 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 2470993) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID2470993
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCCc2ccc(OC)cc2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H23N3O3/c1-4-24-13-18(19(25)17-10-5-14(2)23-20(17)24)21(26)22-12-11-15-6-8-16(27-3)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,22,26)
InChIKeyYTISRKNDCUBECH-UHFFFAOYSA-N
XLogP2.71
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 2470993) is 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCCc2ccc(OC)cc2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is YTISRKNDCUBECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-24-13-18(19(25)17-10-5-14(2)23-20(17)24)21(26)22-12-11-15-6-8-16(27-3)9-7-15/h5-10,13H,4,11-12H2,1-3H3,(H,22,26).
What are the key properties of 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[2-(4-methoxyphenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 2470993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).