N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide

C12H18N6O — CID 123676409

IUPACN,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide
SMILESCN(C)C=NNC(=O)c1cccc(N=CN(C)C)n1
InChIInChI=1S/C12H18N6O/c1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4/h5-9H,1-4H3,(H,16,19)
InChIKeyDGFRHQOYTZYTTM-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.54
Rot. Bonds5

About N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide

N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide (PubChem CID 123676409) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide
PubChem CID123676409
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide
SMILESCN(C)C=NNC(=O)c1cccc(N=CN(C)C)n1
InChIInChI=1S/C12H18N6O/c1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4/h5-9H,1-4H3,(H,16,19)
InChIKeyDGFRHQOYTZYTTM-UHFFFAOYSA-N
XLogP0.54
TPSA73.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.54
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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Related Compounds

6-(dimethylaminomethylideneamino)-N-(methylideneamino)pyridine-2-carboxamide
CID 174020763
6-bromo-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 134714782
N-(dimethylaminomethylideneamino)pyridine-2-carboxamide
CID 174940489
6-[[3-amino-3-methoxy-2-(methyliminomethyl)prop-2-enoyl]amino]-N-[(Z)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 174072630
4-bromo-N-[(Z)-dimethylaminomethylideneamino]thiophene-2-carboxamide
CID 172964290
2-N,6-N-bis[(Z)-pyridin-2-ylmethylideneamino]pyridine-2,6-dicarboxamide
CID 5437141
6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 155148594
2-N,6-N-bis[(E)-(3-chlorophenyl)methylideneamino]pyridine-2,6-dicarboxamide
CID 171981138
2-N,6-N-bis[[4-(2-amino-2-oxoethyl)phenyl]methylideneamino]pyridine-2,6-dicarboxamide
CID 176514703
6-(dimethylaminocarbamoyl)pyridine-2-carboxylic acid
CID 83023717
6-amino-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 62239989
N-[(E)-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enylidene]amino]pyridine-2-carboxamide
CID 139165605

Frequently Asked Questions

What is the IUPAC name of N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide?
The IUPAC name of N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide (CID 123676409) is N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide.
What is the SMILES notation for N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide?
The canonical SMILES for N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide is CN(C)C=NNC(=O)c1cccc(N=CN(C)C)n1.
What is the InChIKey of N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide?
The InChIKey is DGFRHQOYTZYTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-17(2)8-13-11-7-5-6-10(15-11)12(19)16-14-9-18(3)4/h5-9H,1-4H3,(H,16,19).
What are the key properties of N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide?
N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-bis(dimethylaminomethylideneamino)pyridine-2-carboxamide is sourced from PubChem (CID 123676409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).