N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide

C16H13N3O3 — CID 7677977

IUPACN'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccncc2)oc2ccccc12
InChIInChI=1S/C16H13N3O3/c1-10-12-4-2-3-5-13(12)22-14(10)16(21)19-18-15(20)11-6-8-17-9-7-11/h2-9H,1H3,(H,18,20)(H,19,21)
InChIKeyRZDDIJQNHOCDRK-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.21
Rot. Bonds2

About N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide

N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide (PubChem CID 7677977) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
PubChem CID7677977
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC NameN'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccncc2)oc2ccccc12
InChIInChI=1S/C16H13N3O3/c1-10-12-4-2-3-5-13(12)22-14(10)16(21)19-18-15(20)11-6-8-17-9-7-11/h2-9H,1H3,(H,18,20)(H,19,21)
InChIKeyRZDDIJQNHOCDRK-UHFFFAOYSA-N
XLogP2.21
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-propylphenoxy)methyl]-N'-(3-pyridinylmethylene)-2-furohydrazide
CID 6874482
1-(3-Methyl-benzofuran-2-carbonyl)-3-(3-methyl-pyridin-2-yl)-thiourea
CID 741781
5-ethyl-3-methyl-N-(3-pyridinyl)-1-benzofuran-2-carboxamide
CID 852714
N'-(1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide
CID 2390945
N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 2872083
N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]pyridine-4-carbohydrazide
CID 7677970
N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 9684145
3-methyl-N-(5-methyl-2-pyridinyl)-2-benzofurancarboxamide
CID 18106749
3-methyl-N-(4-methylpyridin-2-yl)-1-benzofuran-2-carboxamide
CID 21211963
N'-[3-(2-methoxyphenyl)propanoyl]pyridine-4-carbohydrazide
CID 24981766
3,5,6-trimethyl-N-(pyridin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 975422
Benzofuran-2-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606572

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The IUPAC name of N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide (CID 7677977) is N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide.
What is the SMILES notation for N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The canonical SMILES for N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccncc2)oc2ccccc12.
What is the InChIKey of N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
The InChIKey is RZDDIJQNHOCDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-10-12-4-2-3-5-13(12)22-14(10)16(21)19-18-15(20)11-6-8-17-9-7-11/h2-9H,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide?
N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide has a molecular weight of 295.30 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-1-benzofuran-2-carbonyl)pyridine-4-carbohydrazide is sourced from PubChem (CID 7677977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).