N-(diaminomethylidene)pyridine-4-carboxamide

C7H8N4O — CID 14045774

IUPACN-(diaminomethylidene)pyridine-4-carboxamide
SMILESNC(N)=NC(=O)c1ccncc1
InChIInChI=1S/C7H8N4O/c8-7(9)11-6(12)5-1-3-10-4-2-5/h1-4H,(H4,8,9,11,12)
InChIKeyHCMIDSSYADDADC-UHFFFAOYSA-N
MW164.17 g/mol
LogP-0.50
Rot. Bonds1

About N-(diaminomethylidene)pyridine-4-carboxamide

N-(diaminomethylidene)pyridine-4-carboxamide (PubChem CID 14045774) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is N-(diaminomethylidene)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)pyridine-4-carboxamide
PubChem CID14045774
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC NameN-(diaminomethylidene)pyridine-4-carboxamide
SMILESNC(N)=NC(=O)c1ccncc1
InChIInChI=1S/C7H8N4O/c8-7(9)11-6(12)5-1-3-10-4-2-5/h1-4H,(H4,8,9,11,12)
InChIKeyHCMIDSSYADDADC-UHFFFAOYSA-N
XLogP-0.50
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[bis(methylsulfanyl)methylidene]pyridine-4-carboxamide
CID 14144797
hydrazine;pyridine-4-carboxamide;hydrate
CID 170336563
propan-2-one;pyridine-4-carboxamide
CID 174689468
N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide
CID 157476260
pyridin-4-ylmethyl N-(diaminomethylidene)carbamate
CID 175822954
N'-[(Z)-[amino(pyridin-4-yl)methylidene]amino]pyridine-4-carboximidamide
CID 172958470
pyridine;pyridine-4-carboxamide
CID 70513287
benzamide;pyridine-4-carboxamide
CID 175267661
N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide
CID 143910294
N-[amino(pyridin-4-yl)methylidene]-1,3-benzodioxole-5-carboxamide
CID 143910152
N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide
CID 143910071
2-[(E)-1-pyridin-4-ylethylideneamino]guanidine
CID 15857248

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)pyridine-4-carboxamide?
The IUPAC name of N-(diaminomethylidene)pyridine-4-carboxamide (CID 14045774) is N-(diaminomethylidene)pyridine-4-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)pyridine-4-carboxamide?
The canonical SMILES for N-(diaminomethylidene)pyridine-4-carboxamide is NC(N)=NC(=O)c1ccncc1.
What is the InChIKey of N-(diaminomethylidene)pyridine-4-carboxamide?
The InChIKey is HCMIDSSYADDADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c8-7(9)11-6(12)5-1-3-10-4-2-5/h1-4H,(H4,8,9,11,12).
What are the key properties of N-(diaminomethylidene)pyridine-4-carboxamide?
N-(diaminomethylidene)pyridine-4-carboxamide has a molecular weight of 164.17 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)pyridine-4-carboxamide is sourced from PubChem (CID 14045774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).