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

C14H16N4O — CID 115546575

IUPAC2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
SMILESCc1ccc(Nc2cccc(C(N)=O)c2N)c(C)n1
InChIInChI=1S/C14H16N4O/c1-8-6-7-11(9(2)17-8)18-12-5-3-4-10(13(12)15)14(16)19/h3-7,18H,15H2,1-2H3,(H2,16,19)
InChIKeyBGUJXNBDTZMHRL-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.12
Rot. Bonds3

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

2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide (PubChem CID 115546575) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
PubChem CID115546575
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
SMILESCc1ccc(Nc2cccc(C(N)=O)c2N)c(C)n1
InChIInChI=1S/C14H16N4O/c1-8-6-7-11(9(2)17-8)18-12-5-3-4-10(13(12)15)14(16)19/h3-7,18H,15H2,1-2H3,(H2,16,19)
InChIKeyBGUJXNBDTZMHRL-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

3-amino-2-[(2,6-dimethyl-3-pyridinyl)amino]benzamide
CID 112579263
2-amino-3-(2-methylanilino)benzamide
CID 113332516
2-amino-3-[(1,3-dimethylpyrazol-4-yl)amino]benzamide
CID 102807082
2-amino-3-(2-ethylanilino)benzamide
CID 113332482
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
2-amino-3-(4-chloroanilino)benzamide
CID 113332450
2-amino-3-[4-(dimethylamino)anilino]benzamide
CID 115544938
2-amino-3-(4-ethylanilino)benzamide
CID 113332480
2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide
CID 115544304
2,6-dimethylpyridine-3-carboxamide
CID 2824850
2-amino-3-(4-chloro-2-fluoroanilino)benzamide
CID 113332736
2,6-dimethylpyridine-3-carboxamide;hydrochloride
CID 67300853

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide?
The IUPAC name of 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide (CID 115546575) is 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide.
What is the SMILES notation for 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide?
The canonical SMILES for 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide is Cc1ccc(Nc2cccc(C(N)=O)c2N)c(C)n1.
What is the InChIKey of 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide?
The InChIKey is BGUJXNBDTZMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-8-6-7-11(9(2)17-8)18-12-5-3-4-10(13(12)15)14(16)19/h3-7,18H,15H2,1-2H3,(H2,16,19).
What are the key properties of 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide?
2-amino-3-[(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 2-amino-3-[(2,6-dimethyl-3-pyridinyl)amino]benzamide is sourced from PubChem (CID 115546575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).