2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide

C13H15N3O3 — CID 55214458

IUPAC2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
SMILESCc1ccn(Cc2cc(C(=O)NN)c(C)o2)c(=O)c1
InChIInChI=1S/C13H15N3O3/c1-8-3-4-16(12(17)5-8)7-10-6-11(9(2)19-10)13(18)15-14/h3-6H,7,14H2,1-2H3,(H,15,18)
InChIKeyHLMQRIGNTIBWNP-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.71
Rot. Bonds3

About 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide

2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide (PubChem CID 55214458) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
PubChem CID55214458
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide
SMILESCc1ccn(Cc2cc(C(=O)NN)c(C)o2)c(=O)c1
InChIInChI=1S/C13H15N3O3/c1-8-3-4-16(12(17)5-8)7-10-6-11(9(2)19-10)13(18)15-14/h3-6H,7,14H2,1-2H3,(H,15,18)
InChIKeyHLMQRIGNTIBWNP-UHFFFAOYSA-N
XLogP0.71
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.71
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

2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carboxylic acid
CID 62961234
5-[(3-ethyl-2,6-dioxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63810910
5-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 80582970
2-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-3-carbohydrazide
CID 115912145
2-methyl-5-[(2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 55213052
2-methyl-5-[(5-methyl-2-oxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63581489
2-methyl-5-[(3-methyl-2,6-dioxopyrimidin-1-yl)methyl]furan-3-carbohydrazide
CID 63812364
5-[(6-fluoroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578845
5-[(2-cyanopyrrol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 114655508
5-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 55214030
5-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 66310867
5-[(3-chloroindol-1-yl)methyl]-2-methylfuran-3-carbohydrazide
CID 63578350

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide (CID 55214458) is 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide is Cc1ccn(Cc2cc(C(=O)NN)c(C)o2)c(=O)c1.
What is the InChIKey of 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
The InChIKey is HLMQRIGNTIBWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-3-4-16(12(17)5-8)7-10-6-11(9(2)19-10)13(18)15-14/h3-6H,7,14H2,1-2H3,(H,15,18).
What are the key properties of 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide?
2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide has a molecular weight of 261.28 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-methyl-2-oxo-1-pyridinyl)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 55214458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).