N-(diaminomethylideneamino)furan-2-carboxamide

C6H8N4O2 — CID 15761647

IUPACN-(diaminomethylideneamino)furan-2-carboxamide
SMILESNC(N)=NNC(=O)c1ccco1
InChIInChI=1S/C6H8N4O2/c7-6(8)10-9-5(11)4-2-1-3-12-4/h1-3H,(H,9,11)(H4,7,8,10)
InChIKeyGWILQWDKMZQNGM-UHFFFAOYSA-N
MW168.16 g/mol
LogP-0.80
Rot. Bonds2

About N-(diaminomethylideneamino)furan-2-carboxamide

N-(diaminomethylideneamino)furan-2-carboxamide (PubChem CID 15761647) has the molecular formula C6H8N4O2 and a molecular weight of 168.16 g/mol. Its IUPAC name is N-(diaminomethylideneamino)furan-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylideneamino)furan-2-carboxamide
PubChem CID15761647
Molecular FormulaC6H8N4O2
Molecular Weight168.16 g/mol
Exact Mass168.06
IUPAC NameN-(diaminomethylideneamino)furan-2-carboxamide
SMILESNC(N)=NNC(=O)c1ccco1
InChIInChI=1S/C6H8N4O2/c7-6(8)10-9-5(11)4-2-1-3-12-4/h1-3H,(H,9,11)(H4,7,8,10)
InChIKeyGWILQWDKMZQNGM-UHFFFAOYSA-N
XLogP-0.80
TPSA106.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[(E)-[amino-(2-hydroxyphenyl)methylidene]amino]furan-2-carboxamide
CID 136915218
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823
N-[(Z)-[amino(pyrazin-2-yl)methylidene]amino]furan-2-carboxamide
CID 170856265
N-[(Z)-[amino-(2-amino-5-chlorophenyl)methylidene]amino]furan-2-carboxamide
CID 10356225
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[(Z)-1-[4-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]furan-2-carboxamide
CID 6009222
N-chlorofuran-2-carboxamide
CID 18537247
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
5-[(Z)-N-(furan-2-carbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 6074875

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylideneamino)furan-2-carboxamide?
The IUPAC name of N-(diaminomethylideneamino)furan-2-carboxamide (CID 15761647) is N-(diaminomethylideneamino)furan-2-carboxamide.
What is the SMILES notation for N-(diaminomethylideneamino)furan-2-carboxamide?
The canonical SMILES for N-(diaminomethylideneamino)furan-2-carboxamide is NC(N)=NNC(=O)c1ccco1.
What is the InChIKey of N-(diaminomethylideneamino)furan-2-carboxamide?
The InChIKey is GWILQWDKMZQNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O2/c7-6(8)10-9-5(11)4-2-1-3-12-4/h1-3H,(H,9,11)(H4,7,8,10).
What are the key properties of N-(diaminomethylideneamino)furan-2-carboxamide?
N-(diaminomethylideneamino)furan-2-carboxamide has a molecular weight of 168.16 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylideneamino)furan-2-carboxamide is sourced from PubChem (CID 15761647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).