3-amino-N-cyanopyridine-2-carboxamide

C7H6N4O — CID 104742532

IUPAC3-amino-N-cyanopyridine-2-carboxamide
SMILESN#CNC(=O)c1ncccc1N
InChIInChI=1S/C7H6N4O/c8-4-11-7(12)6-5(9)2-1-3-10-6/h1-3H,9H2,(H,11,12)
InChIKeyXLRUFKRREZCADT-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.13
Rot. Bonds1

About 3-amino-N-cyanopyridine-2-carboxamide

3-amino-N-cyanopyridine-2-carboxamide (PubChem CID 104742532) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 3-amino-N-cyanopyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyanopyridine-2-carboxamide
PubChem CID104742532
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name3-amino-N-cyanopyridine-2-carboxamide
SMILESN#CNC(=O)c1ncccc1N
InChIInChI=1S/C7H6N4O/c8-4-11-7(12)6-5(9)2-1-3-10-6/h1-3H,9H2,(H,11,12)
InChIKeyXLRUFKRREZCADT-UHFFFAOYSA-N
XLogP-0.13
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 104740905
3-amino-N-methoxypyridine-2-carboxamide;O-methylhydroxylamine;hydrochloride
CID 158937226
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
3-amino-N-(2,2-dichloroethyl)pyridine-2-carboxamide
CID 130551892
N-cyanoisoquinoline-1-carboxamide
CID 79195408
3-amino-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 104742724
3-amino-N-prop-2-ynoxypyridine-2-carboxamide
CID 130632587
3-amino-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104740778
(2R)-2-[(3-aminopyridine-2-carbonyl)amino]propanoic acid
CID 104742099
3-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 104740792
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
3-amino-N-(2-methylprop-2-enyl)pyridine-2-carboxamide
CID 114617075

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyanopyridine-2-carboxamide?
The IUPAC name of 3-amino-N-cyanopyridine-2-carboxamide (CID 104742532) is 3-amino-N-cyanopyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-cyanopyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-cyanopyridine-2-carboxamide is N#CNC(=O)c1ncccc1N.
What is the InChIKey of 3-amino-N-cyanopyridine-2-carboxamide?
The InChIKey is XLRUFKRREZCADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c8-4-11-7(12)6-5(9)2-1-3-10-6/h1-3H,9H2,(H,11,12).
What are the key properties of 3-amino-N-cyanopyridine-2-carboxamide?
3-amino-N-cyanopyridine-2-carboxamide has a molecular weight of 162.15 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyanopyridine-2-carboxamide is sourced from PubChem (CID 104742532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).