1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide

C22H24N4O5 — CID 45278283

IUPAC1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H24N4O5/c1-6-26-12-16(19(27)15-8-7-13(2)24-21(15)26)22(28)25-23-11-14-9-17(29-3)20(31-5)18(10-14)30-4/h7-12H,6H2,1-5H3,(H,25,28)/b23-11+
InChIKeyREYXKRZPIOLFKN-FOKLQQMPSA-N
MW424.46 g/mol
LogP2.51
Rot. Bonds7

About 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide (PubChem CID 45278283) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide
PubChem CID45278283
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Name1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H24N4O5/c1-6-26-12-16(19(27)15-8-7-13(2)24-21(15)26)22(28)25-23-11-14-9-17(29-3)20(31-5)18(10-14)30-4/h7-12H,6H2,1-5H3,(H,25,28)/b23-11+
InChIKeyREYXKRZPIOLFKN-FOKLQQMPSA-N
XLogP2.51
TPSA104.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide (CID 45278283) is 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide?
The InChIKey is REYXKRZPIOLFKN-FOKLQQMPSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-6-26-12-16(19(27)15-8-7-13(2)24-21(15)26)22(28)25-23-11-14-9-17(29-3)20(31-5)18(10-14)30-4/h7-12H,6H2,1-5H3,(H,25,28)/b23-11+.
What are the key properties of 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide has a molecular weight of 424.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 45278283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).