3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide

C14H16N4O — CID 112579263

IUPAC3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
SMILESCc1ccc(Nc2c(N)cccc2C(N)=O)c(C)n1
InChIInChI=1S/C14H16N4O/c1-8-6-7-12(9(2)17-8)18-13-10(14(16)19)4-3-5-11(13)15/h3-7,18H,15H2,1-2H3,(H2,16,19)
InChIKeyFPOMGZGJXFDIHC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.12
Rot. Bonds3

About 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide

3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide (PubChem CID 112579263) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
PubChem CID112579263
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
SMILESCc1ccc(Nc2c(N)cccc2C(N)=O)c(C)n1
InChIInChI=1S/C14H16N4O/c1-8-6-7-12(9(2)17-8)18-13-10(14(16)19)4-3-5-11(13)15/h3-7,18H,15H2,1-2H3,(H2,16,19)
InChIKeyFPOMGZGJXFDIHC-UHFFFAOYSA-N
XLogP2.12
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.12
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

2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 115546575
3-amino-2-(quinolin-8-ylamino)benzamide
CID 115933843
3-amino-2-(naphthalen-1-ylamino)benzamide
CID 115933816
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
3-amino-2-[2-(dimethylamino)anilino]benzamide
CID 106760653
3-amino-2-(2,3-difluoroanilino)benzamide
CID 112578278
3-amino-2-(4-methylsulfanylanilino)benzamide
CID 112577711
3-amino-2-(2-chloro-4-iodoanilino)benzamide
CID 107607634
3-amino-2-(2-bromo-5-chloro-4-methylanilino)benzamide
CID 104725074
2,6-dimethylpyridine-3-carboxamide
CID 2824850
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide?
The IUPAC name of 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide (CID 112579263) is 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide.
What is the SMILES notation for 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide?
The canonical SMILES for 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide is Cc1ccc(Nc2c(N)cccc2C(N)=O)c(C)n1.
What is the InChIKey of 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide?
The InChIKey is FPOMGZGJXFDIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-6-7-12(9(2)17-8)18-13-10(14(16)19)4-3-5-11(13)15/h3-7,18H,15H2,1-2H3,(H2,16,19).
What are the key properties of 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide?
3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide has a molecular weight of 256.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide is sourced from PubChem (CID 112579263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).