5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide

C12H11N3O2 — CID 3699372

IUPAC5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccncc2)o1
InChIInChI=1S/C12H11N3O2/c1-9-2-3-11(17-9)12(16)15-14-8-10-4-6-13-7-5-10/h2-8H,1H3,(H,15,16)
InChIKeyHPMXCBHZTJFKRE-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.75
Rot. Bonds3

About 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide

5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide (PubChem CID 3699372) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
PubChem CID3699372
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
SMILESCc1ccc(C(=O)NN=Cc2ccncc2)o1
InChIInChI=1S/C12H11N3O2/c1-9-2-3-11(17-9)12(16)15-14-8-10-4-6-13-7-5-10/h2-8H,1H3,(H,15,16)
InChIKeyHPMXCBHZTJFKRE-UHFFFAOYSA-N
XLogP1.75
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 2171671
N-[(Z)-(4-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 6188173
N-[(3-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 963063
N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 678532
N-[(3-chlorophenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 4105460
[(E)-pyridin-4-ylmethylideneamino]carbamic acid
CID 19830229
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-5-methylfuran-2-carboxamide
CID 137122771
2-N,5-N-bis(pyridin-3-ylmethylideneamino)furan-2,5-dicarboxamide
CID 4674781
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,2,5-oxadiazole-3-carboxamide
CID 5393857
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide
CID 1225373
[(E)-pyridin-4-ylmethylideneamino]carbamic acid;hydrate
CID 88512822
1-[(Z)-pyridin-4-ylmethylideneamino]-3-[(E)-pyridin-4-ylmethylideneamino]urea
CID 54600785

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The IUPAC name of 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide (CID 3699372) is 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide is Cc1ccc(C(=O)NN=Cc2ccncc2)o1.
What is the InChIKey of 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
The InChIKey is HPMXCBHZTJFKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-9-2-3-11(17-9)12(16)15-14-8-10-4-6-13-7-5-10/h2-8H,1H3,(H,15,16).
What are the key properties of 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide?
5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide has a molecular weight of 229.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(pyridin-4-ylmethylideneamino)furan-2-carboxamide is sourced from PubChem (CID 3699372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).