5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide

C12H19N5O — CID 119152311

IUPAC5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide
SMILESCN(C)C(=NCc1ccc(C(N)=O)nc1)N(C)C
InChIInChI=1S/C12H19N5O/c1-16(2)12(17(3)4)15-8-9-5-6-10(11(13)18)14-7-9/h5-7H,8H2,1-4H3,(H2,13,18)
InChIKeyQKBLJMAHSNOIDQ-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.16
Rot. Bonds3

About 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide

5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide (PubChem CID 119152311) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide
PubChem CID119152311
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide
SMILESCN(C)C(=NCc1ccc(C(N)=O)nc1)N(C)C
InChIInChI=1S/C12H19N5O/c1-16(2)12(17(3)4)15-8-9-5-6-10(11(13)18)14-7-9/h5-7H,8H2,1-4H3,(H2,13,18)
InChIKeyQKBLJMAHSNOIDQ-UHFFFAOYSA-N
XLogP0.16
TPSA74.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide?
The IUPAC name of 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide (CID 119152311) is 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide is CN(C)C(=NCc1ccc(C(N)=O)nc1)N(C)C.
What is the InChIKey of 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide?
The InChIKey is QKBLJMAHSNOIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-16(2)12(17(3)4)15-8-9-5-6-10(11(13)18)14-7-9/h5-7H,8H2,1-4H3,(H2,13,18).
What are the key properties of 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide?
5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide has a molecular weight of 249.32 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[bis(dimethylamino)methylideneamino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 119152311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).