2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide

C10H9N5O — CID 62152670

IUPAC2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide
SMILESN#CCN(CC#N)C(=O)c1cccnc1N
InChIInChI=1S/C10H9N5O/c11-3-6-15(7-4-12)10(16)8-2-1-5-14-9(8)13/h1-2,5H,6-7H2,(H2,13,14)
InChIKeyLOHHOAKFBBJJHH-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.15
Rot. Bonds3

About 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide

2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide (PubChem CID 62152670) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide
PubChem CID62152670
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide
SMILESN#CCN(CC#N)C(=O)c1cccnc1N
InChIInChI=1S/C10H9N5O/c11-3-6-15(7-4-12)10(16)8-2-1-5-14-9(8)13/h1-2,5H,6-7H2,(H2,13,14)
InChIKeyLOHHOAKFBBJJHH-UHFFFAOYSA-N
XLogP0.15
TPSA106.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide (CID 62152670) is 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide is N#CCN(CC#N)C(=O)c1cccnc1N.
What is the InChIKey of 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide?
The InChIKey is LOHHOAKFBBJJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-3-6-15(7-4-12)10(16)8-2-1-5-14-9(8)13/h1-2,5H,6-7H2,(H2,13,14).
What are the key properties of 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide?
2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide has a molecular weight of 215.22 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-bis(cyanomethyl)pyridine-3-carboxamide is sourced from PubChem (CID 62152670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).