1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide

C12H14N4O2 — CID 612097

IUPAC1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2ccc(C)nc21
InChIInChI=1S/C12H14N4O2/c1-3-16-6-9(12(18)15-13)10(17)8-5-4-7(2)14-11(8)16/h4-6H,3,13H2,1-2H3,(H,15,18)
InChIKeyLTXFNOZRVDFIKB-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.33
Rot. Bonds2

About 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide

1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide (PubChem CID 612097) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide
PubChem CID612097
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide
SMILESCCn1cc(C(=O)NN)c(=O)c2ccc(C)nc21
InChIInChI=1S/C12H14N4O2/c1-3-16-6-9(12(18)15-13)10(17)8-5-4-7(2)14-11(8)16/h4-6H,3,13H2,1-2H3,(H,15,18)
InChIKeyLTXFNOZRVDFIKB-UHFFFAOYSA-N
XLogP0.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Nalidixate Sodium Anhydrous
CID 3864541
1,8-Naphthyridin-4-ol, 7-methyl-2-propyl-
CID 13155595
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 16086899
2-Phenyl-7-methyl-1,8-naphthyridine-4-ol
CID 5467768
1-benzyl-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4(1H)-one
CID 15988460
7-Methyl-3-(4-methylbenzoyl)-1-[(3-methylphenyl)methyl]-1,4-dihydro-1,8-naphthyridin-4-one
CID 15988522
7-Methyl-1,8-naphthyridin-4(1H)-one
CID 5373676
3-Benzyl-7-methyl-[1,8]naphthyridin-4-ol
CID 15557795
1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid (2-o-tolyl-ethyl)-amide
CID 859258
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2547456
1-ethyl-7-methyl-2-phenyl-1,8-naphthyridin-4(1H)-one
CID 10778032
2-(3-benzoyl-7-methyl-4-oxo-1,8-naphthyridin-1(4H)-yl)-N-benzylacetamide
CID 16024493

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide (CID 612097) is 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide is CCn1cc(C(=O)NN)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide?
The InChIKey is LTXFNOZRVDFIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-16-6-9(12(18)15-13)10(17)8-5-4-7(2)14-11(8)16/h4-6H,3,13H2,1-2H3,(H,15,18).
What are the key properties of 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide?
1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide has a molecular weight of 246.27 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbohydrazide is sourced from PubChem (CID 612097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).