6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide

C12H10N4O4 — CID 5405088

IUPAC6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C12H10N4O4/c1-8-2-3-9(6-13-8)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h2-7H,1H3,(H,15,17)/b14-7-
InChIKeyKOGGCDDTQPBCTI-AUWJEWJLSA-N
MW274.24 g/mol
LogP1.66
Rot. Bonds4

About 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide

6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 5405088) has the molecular formula C12H10N4O4 and a molecular weight of 274.24 g/mol. Its IUPAC name is 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID5405088
Molecular FormulaC12H10N4O4
Molecular Weight274.24 g/mol
Exact Mass274.07
IUPAC Name6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cn1
InChIInChI=1S/C12H10N4O4/c1-8-2-3-9(6-13-8)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h2-7H,1H3,(H,15,17)/b14-7-
InChIKeyKOGGCDDTQPBCTI-AUWJEWJLSA-N
XLogP1.66
TPSA110.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide (CID 5405088) is 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide is Cc1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])o2)cn1.
What is the InChIKey of 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is KOGGCDDTQPBCTI-AUWJEWJLSA-N. The full InChI is InChI=1S/C12H10N4O4/c1-8-2-3-9(6-13-8)12(17)15-14-7-10-4-5-11(20-10)16(18)19/h2-7H,1H3,(H,15,17)/b14-7-.
What are the key properties of 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide?
6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 274.24 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5405088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).