N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide

C11H10N4O2 — CID 170219541

IUPACN-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
SMILESNc1ccc(/C=N/NC(=O)c2ccncc2)o1
InChIInChI=1S/C11H10N4O2/c12-10-2-1-9(17-10)7-14-15-11(16)8-3-5-13-6-4-8/h1-7H,12H2,(H,15,16)/b14-7+
InChIKeyAQOXCJDDAIVLQK-VGOFMYFVSA-N
MW230.23 g/mol
LogP1.02
Rot. Bonds3

About N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide

N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide (PubChem CID 170219541) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
PubChem CID170219541
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide
SMILESNc1ccc(/C=N/NC(=O)c2ccncc2)o1
InChIInChI=1S/C11H10N4O2/c12-10-2-1-9(17-10)7-14-15-11(16)8-3-5-13-6-4-8/h1-7H,12H2,(H,15,16)/b14-7+
InChIKeyAQOXCJDDAIVLQK-VGOFMYFVSA-N
XLogP1.02
TPSA93.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
4-[5-[(pyridine-4-carbonylhydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 772353
[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
CID 5396872
4-amino-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
CID 5391862
cobalt;bis(N-[(E)-furan-2-ylmethylideneamino]pyridine-4-carboxamide)
CID 10885414
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 616953
N-[(E)-(4-bromophenyl)methylideneamino]pyridine-4-carboxamide
CID 5332577
N-[(E)-(4-chlorophenyl)methylideneamino]pyridine-4-carboxamide;hydrate
CID 21204570
N-[(E)-1H-pyrrol-2-ylmethylideneamino]pyridine-4-carboxamide
CID 135444093
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]pyridine-4-carboxamide
CID 5497492
N-[(Z)-(5-bromofuran-2-yl)methylideneamino]benzamide
CID 5397633

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide (CID 170219541) is N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide is Nc1ccc(/C=N/NC(=O)c2ccncc2)o1.
What is the InChIKey of N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is AQOXCJDDAIVLQK-VGOFMYFVSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-10-2-1-9(17-10)7-14-15-11(16)8-3-5-13-6-4-8/h1-7H,12H2,(H,15,16)/b14-7+.
What are the key properties of N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide?
N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-aminofuran-2-yl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 170219541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).