3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide

C15H18N4O — CID 79042477

IUPAC3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C15H18N4O/c1-10-13(5-4-8-17-10)18-15(20)11-6-7-14(19(2)3)12(16)9-11/h4-9H,16H2,1-3H3,(H,18,20)
InChIKeyZBAOCAVWJDHKIH-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.29
Rot. Bonds3

About 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide

3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide (PubChem CID 79042477) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
PubChem CID79042477
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide
SMILESCc1ncccc1NC(=O)c1ccc(N(C)C)c(N)c1
InChIInChI=1S/C15H18N4O/c1-10-13(5-4-8-17-10)18-15(20)11-6-7-14(19(2)3)12(16)9-11/h4-9H,16H2,1-3H3,(H,18,20)
InChIKeyZBAOCAVWJDHKIH-UHFFFAOYSA-N
XLogP2.29
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-diamino-N-(2-methyl-3-pyridinyl)benzamide
CID 79042253
3-amino-4-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 61090939
3-amino-4-(dimethylamino)-N-(3,5-dimethylphenyl)benzamide
CID 61091528
3-amino-4-(dimethylamino)-N-phenylbenzamide;dihydrochloride
CID 50851045
4-bromo-3-hydroxy-N-(2-methyl-3-pyridinyl)benzamide
CID 103957362
4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 79041653
3-bromo-4-fluoro-N-(2-methyl-3-pyridinyl)benzamide
CID 103715047
4-(methylamino)-N-(2-methyl-3-pyridinyl)benzamide
CID 79043682
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472
3-amino-N-(4-bromo-2-fluorophenyl)-4-(dimethylamino)benzamide
CID 61090837
3-amino-4-(dimethylamino)-N-(1-methylpyrazol-3-yl)benzamide
CID 61104637

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide?
The IUPAC name of 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide (CID 79042477) is 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide?
The canonical SMILES for 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide is Cc1ncccc1NC(=O)c1ccc(N(C)C)c(N)c1.
What is the InChIKey of 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide?
The InChIKey is ZBAOCAVWJDHKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-13(5-4-8-17-10)18-15(20)11-6-7-14(19(2)3)12(16)9-11/h4-9H,16H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide?
3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide has a molecular weight of 270.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(dimethylamino)-N-(2-methyl-3-pyridinyl)benzamide is sourced from PubChem (CID 79042477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).