3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide

C14H16N4O — CID 82989252

IUPAC3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(NCc2ccccn2)c(N)c1
InChIInChI=1S/C14H16N4O/c1-16-14(19)10-5-6-13(12(15)8-10)18-9-11-4-2-3-7-17-11/h2-8,18H,9,15H2,1H3,(H,16,19)
InChIKeyOKELWVIAUOZDQA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.64
Rot. Bonds4

About 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide

3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide (PubChem CID 82989252) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
PubChem CID82989252
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(NCc2ccccn2)c(N)c1
InChIInChI=1S/C14H16N4O/c1-16-14(19)10-5-6-13(12(15)8-10)18-9-11-4-2-3-7-17-11/h2-8,18H,9,15H2,1H3,(H,16,19)
InChIKeyOKELWVIAUOZDQA-UHFFFAOYSA-N
XLogP1.64
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetamido-3-amino-N-(pyridin-2-ylmethyl)benzamide
CID 18315403
3-amino-N-methyl-4-[methyl(pyridin-2-ylmethyl)amino]benzamide
CID 82988706
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
3-methyl-4-(pyridin-2-ylmethylamino)benzoic acid
CID 6472477
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
3-methyl-4-(pyridin-2-ylmethylamino)benzoate
CID 7420321
4-nitro-1-N-(pyridin-2-ylmethyl)benzene-1,2-diamine
CID 62506127
3-amino-4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-N-methylbenzamide
CID 106369913
3-amino-N-methyl-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]benzamide
CID 106392912
3-amino-4-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzamide
CID 115989165
3-amino-N-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 82992380
3-amino-4-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-methylbenzamide
CID 82999428

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide?
The IUPAC name of 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide (CID 82989252) is 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide.
What is the SMILES notation for 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide?
The canonical SMILES for 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide is CNC(=O)c1ccc(NCc2ccccn2)c(N)c1.
What is the InChIKey of 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide?
The InChIKey is OKELWVIAUOZDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-16-14(19)10-5-6-13(12(15)8-10)18-9-11-4-2-3-7-17-11/h2-8,18H,9,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide?
3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide has a molecular weight of 256.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-4-(pyridin-2-ylmethylamino)benzamide is sourced from PubChem (CID 82989252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).