N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide

C12H12N4O3 — CID 20679481

IUPACN'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2c(C)nccc2[nH]c1=O
InChIInChI=1S/C12H12N4O3/c1-6-8-5-9(12(19)16-15-7(2)17)11(18)14-10(8)3-4-13-6/h3-5H,1-2H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyMGVLWWHZIUKCOE-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.01
Rot. Bonds1

About N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide

N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide (PubChem CID 20679481) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide.

Molecular Properties

Compound NameN'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide
PubChem CID20679481
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC NameN'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide
SMILESCC(=O)NNC(=O)c1cc2c(C)nccc2[nH]c1=O
InChIInChI=1S/C12H12N4O3/c1-6-8-5-9(12(19)16-15-7(2)17)11(18)14-10(8)3-4-13-6/h3-5H,1-2H3,(H,14,18)(H,15,17)(H,16,19)
InChIKeyMGVLWWHZIUKCOE-UHFFFAOYSA-N
XLogP0.01
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxamide
CID 6009357
5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbonyl isothiocyanate;5-methyl-2-oxo-1H-1,6-naphthyridine-3-carboxylic acid
CID 91242313
4-methyl-1H-pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 69027498
ethane;5-methyl-1H-1,6-naphthyridin-2-one
CID 143136262
trimethyl-(4-methyl-1H-pyrrolo[3,2-c]pyridin-2-yl)silane
CID 176810006
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
5,6-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 114553133
N'-acetyl-4-fluoro-2-methylbenzohydrazide
CID 115745372
4-methyl-2-pyridin-3-yl-1H-pyrrolo[3,2-c]pyridine
CID 144764987
2-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxylic acid
CID 130047563
4,5-dimethyl-1H-1,6-naphthyridin-2-one
CID 70409329
6-acetamido-5,7-dimethyl-2-oxo-1H-1,8-naphthyridine-3-carboxylic acid
CID 21496115

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide?
The IUPAC name of N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide (CID 20679481) is N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide.
What is the SMILES notation for N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide?
The canonical SMILES for N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide is CC(=O)NNC(=O)c1cc2c(C)nccc2[nH]c1=O.
What is the InChIKey of N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide?
The InChIKey is MGVLWWHZIUKCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-6-8-5-9(12(19)16-15-7(2)17)11(18)14-10(8)3-4-13-6/h3-5H,1-2H3,(H,14,18)(H,15,17)(H,16,19).
What are the key properties of N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide?
N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide has a molecular weight of 260.25 g/mol, XLogP of 0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-5-methyl-2-oxo-1H-1,6-naphthyridine-3-carbohydrazide is sourced from PubChem (CID 20679481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).