6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide

C10H13N5O — CID 174020763

IUPAC6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide
SMILESC=NNC(=O)c1cccc(N=CN(C)C)n1
InChIInChI=1S/C10H13N5O/c1-11-14-10(16)8-5-4-6-9(13-8)12-7-15(2)3/h4-7H,1H2,2-3H3,(H,14,16)
InChIKeyDWSVTOJVHLXIEX-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.65
Rot. Bonds4

About 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide

6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide (PubChem CID 174020763) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide
PubChem CID174020763
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide
SMILESC=NNC(=O)c1cccc(N=CN(C)C)n1
InChIInChI=1S/C10H13N5O/c1-11-14-10(16)8-5-4-6-9(13-8)12-7-15(2)3/h4-7H,1H2,2-3H3,(H,14,16)
InChIKeyDWSVTOJVHLXIEX-UHFFFAOYSA-N
XLogP0.65
TPSA69.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide?
The IUPAC name of 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide (CID 174020763) is 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide?
The canonical SMILES for 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide is C=NNC(=O)c1cccc(N=CN(C)C)n1.
What is the InChIKey of 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide?
The InChIKey is DWSVTOJVHLXIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-11-14-10(16)8-5-4-6-9(13-8)12-7-15(2)3/h4-7H,1H2,2-3H3,(H,14,16).
What are the key properties of 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide?
6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide has a molecular weight of 219.25 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide is sourced from PubChem (CID 174020763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).