N-cyano-2H-pyridine-1-carboxamide

C7H7N3O — CID 22149205

IUPACN-cyano-2H-pyridine-1-carboxamide
SMILESN#CNC(=O)N1C=CC=CC1
InChIInChI=1S/C7H7N3O/c8-6-9-7(11)10-4-2-1-3-5-10/h1-4H,5H2,(H,9,11)
InChIKeyMXXGLQUHORYJAT-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.56
Rot. Bonds

About N-cyano-2H-pyridine-1-carboxamide

N-cyano-2H-pyridine-1-carboxamide (PubChem CID 22149205) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is N-cyano-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyano-2H-pyridine-1-carboxamide
PubChem CID22149205
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC NameN-cyano-2H-pyridine-1-carboxamide
SMILESN#CNC(=O)N1C=CC=CC1
InChIInChI=1S/C7H7N3O/c8-6-9-7(11)10-4-2-1-3-5-10/h1-4H,5H2,(H,9,11)
InChIKeyMXXGLQUHORYJAT-UHFFFAOYSA-N
XLogP0.56
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyano-2H-pyridine-1-carboxamide?
The IUPAC name of N-cyano-2H-pyridine-1-carboxamide (CID 22149205) is N-cyano-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-cyano-2H-pyridine-1-carboxamide?
The canonical SMILES for N-cyano-2H-pyridine-1-carboxamide is N#CNC(=O)N1C=CC=CC1.
What is the InChIKey of N-cyano-2H-pyridine-1-carboxamide?
The InChIKey is MXXGLQUHORYJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c8-6-9-7(11)10-4-2-1-3-5-10/h1-4H,5H2,(H,9,11).
What are the key properties of N-cyano-2H-pyridine-1-carboxamide?
N-cyano-2H-pyridine-1-carboxamide has a molecular weight of 149.15 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-2H-pyridine-1-carboxamide is sourced from PubChem (CID 22149205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).