3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide

C17H15N3O4 — CID 51177211

IUPAC3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cn2ccccc2=O)oc2ccccc12
InChIInChI=1S/C17H15N3O4/c1-11-12-6-2-3-7-13(12)24-16(11)17(23)19-18-14(21)10-20-9-5-4-8-15(20)22/h2-9H,10H2,1H3,(H,18,21)(H,19,23)
InChIKeyNMAGUCIAXFQSGA-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.36
Rot. Bonds3

About 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide

3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 51177211) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID51177211
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)Cn2ccccc2=O)oc2ccccc12
InChIInChI=1S/C17H15N3O4/c1-11-12-6-2-3-7-13(12)24-16(11)17(23)19-18-14(21)10-20-9-5-4-8-15(20)22/h2-9H,10H2,1H3,(H,18,21)(H,19,23)
InChIKeyNMAGUCIAXFQSGA-UHFFFAOYSA-N
XLogP1.36
TPSA93.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]-1-benzofuran-2-carbohydrazide
CID 102603809
N'-[2-(4-fluorophenyl)acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26927325
N'-[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 55506822
3-methyl-N'-[2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetyl]-1-benzofuran-2-carbohydrazide
CID 27685707
1-methyl-N'-(3-methyl-1-benzofuran-2-carbonyl)-6-oxopyridazine-3-carbohydrazide
CID 51166600
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
N'-[4-(1H-indol-3-yl)butanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 26873945
3-methyl-N'-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]-1-benzofuran-2-carbohydrazide
CID 46652794
N'-[2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]acetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 92534606
2,5-dimethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9077511
N'-[2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 9297424
N'-[3-(3,5-dimethylpyrazol-1-yl)propanoyl]-3-methyl-1-benzofuran-2-carbohydrazide
CID 24607746

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide (CID 51177211) is 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)Cn2ccccc2=O)oc2ccccc12.
What is the InChIKey of 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is NMAGUCIAXFQSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-11-12-6-2-3-7-13(12)24-16(11)17(23)19-18-14(21)10-20-9-5-4-8-15(20)22/h2-9H,10H2,1H3,(H,18,21)(H,19,23).
What are the key properties of 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide?
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 325.32 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 51177211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).