N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide

C18H13N3O3 — CID 1280117

IUPACN-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3C#N)o2)o1
InChIInChI=1S/C18H13N3O3/c1-12-6-8-17(23-12)18(22)21-20-11-14-7-9-16(24-14)15-5-3-2-4-13(15)10-19/h2-9,11H,1H3,(H,21,22)
InChIKeyGMFLSZVSXQBHNO-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.48
Rot. Bonds4

About N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide

N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide (PubChem CID 1280117) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
PubChem CID1280117
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3C#N)o2)o1
InChIInChI=1S/C18H13N3O3/c1-12-6-8-17(23-12)18(22)21-20-11-14-7-9-16(24-14)15-5-3-2-4-13(15)10-19/h2-9,11H,1H3,(H,21,22)
InChIKeyGMFLSZVSXQBHNO-UHFFFAOYSA-N
XLogP3.48
TPSA91.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide 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

N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126395934
1-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-3-phenylurea
CID 958480
4-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5396321
N-[(Z)-[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-2-(2,4-dimethylphenyl)acetamide
CID 92657677
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233
2-[5-[(Z)-[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126047375
3-[5-[[(5-methylfuran-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 681683
N-[(Z)-[5-(3-bromo-4-methylphenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 126373501
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122771
N-[(E)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 21370346
N-[(5-methylfuran-2-yl)methylideneamino]furan-2-carboxamide
CID 668435
2-[5-[(benzoylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 50883717

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide (CID 1280117) is N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3C#N)o2)o1.
What is the InChIKey of N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide?
The InChIKey is GMFLSZVSXQBHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-12-6-8-17(23-12)18(22)21-20-11-14-7-9-16(24-14)15-5-3-2-4-13(15)10-19/h2-9,11H,1H3,(H,21,22).
What are the key properties of N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide?
N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide has a molecular weight of 319.32 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-cyanophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 1280117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).