N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide

C15H16N4O — CID 143910294

IUPACN-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)/N=C(\N)c2ccncc2)c1
InChIInChI=1S/C15H16N4O/c1-19(2)13-5-3-4-12(10-13)15(20)18-14(16)11-6-8-17-9-7-11/h3-10H,1-2H3,(H2,16,18,20)
InChIKeyQHILWGGRFMAATR-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.69
Rot. Bonds3

About N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide

N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide (PubChem CID 143910294) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide
PubChem CID143910294
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC NameN-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide
SMILESCN(C)c1cccc(C(=O)/N=C(\N)c2ccncc2)c1
InChIInChI=1S/C15H16N4O/c1-19(2)13-5-3-4-12(10-13)15(20)18-14(16)11-6-8-17-9-7-11/h3-10H,1-2H3,(H2,16,18,20)
InChIKeyQHILWGGRFMAATR-UHFFFAOYSA-N
XLogP1.69
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.69
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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Related Compounds

N-[3-[[3-(dimethylamino)benzoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610611
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N-[amino(pyridin-4-yl)methylidene]-1,3-benzodioxole-5-carboxamide
CID 143910152
N-[amino(pyridin-4-yl)methylidene]-3-methoxy-4-methylbenzamide
CID 143910071
[3-(dimethylamino)phenyl]-pyridin-3-ylmethanone
CID 105081243
N-[amino-(3-methylphenyl)methylidene]-2-chloropyridine-4-carboxamide
CID 2800228
3-(1-aminoethenyl)-N,N-dimethylaniline
CID 163229020
[3-(dimethylamino)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 35856681
N-(diaminomethylidene)pyridine-4-carboxamide
CID 14045774
N'-[3-(dimethylamino)phenyl]benzenecarboximidamide
CID 113297943
2-amino-1-[3-(dimethylamino)phenyl]propan-1-one
CID 57002275
3-(dimethylamino)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 31289913

Frequently Asked Questions

What is the IUPAC name of N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide?
The IUPAC name of N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide (CID 143910294) is N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide is CN(C)c1cccc(C(=O)/N=C(\N)c2ccncc2)c1.
What is the InChIKey of N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide?
The InChIKey is QHILWGGRFMAATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-19(2)13-5-3-4-12(10-13)15(20)18-14(16)11-6-8-17-9-7-11/h3-10H,1-2H3,(H2,16,18,20).
What are the key properties of N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide?
N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide has a molecular weight of 268.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(pyridin-4-yl)methylidene]-3-(dimethylamino)benzamide is sourced from PubChem (CID 143910294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).