5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide

C16H20N4O — CID 62997396

IUPAC5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(N)ccc2N(C)C)cn1
InChIInChI=1S/C16H20N4O/c1-11-4-5-12(9-18-11)10-19-16(21)14-8-13(17)6-7-15(14)20(2)3/h4-9H,10,17H2,1-3H3,(H,19,21)
InChIKeyZCTISSRNWPVFHB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.97
Rot. Bonds4

About 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide

5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 62997396) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
PubChem CID62997396
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(N)ccc2N(C)C)cn1
InChIInChI=1S/C16H20N4O/c1-11-4-5-12(9-18-11)10-19-16(21)14-8-13(17)6-7-15(14)20(2)3/h4-9H,10,17H2,1-3H3,(H,19,21)
InChIKeyZCTISSRNWPVFHB-UHFFFAOYSA-N
XLogP1.97
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 62995244
2-amino-5-chloro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114923423
2-amino-4-bromo-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 79721449
5-amino-N-[(6-methyl-3-pyridinyl)methyl]-1H-indazole-3-carboxamide
CID 62997565
2,5-dihydroxy-N-[(6-methyl-3-pyridinyl)methyl]benzamide
CID 103892047
4-amino-1-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrrole-2-carboxamide
CID 55142255
2,3-difluoro-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 105381189
5-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)benzamide
CID 61139225
methyl 5-amino-2-[(6-methyl-3-pyridinyl)methylamino]benzoate
CID 62989273
(E)-3-(4-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]prop-2-enamide
CID 115344050
2-[methyl-[(6-methyl-3-pyridinyl)methylcarbamoyl]amino]propanoic acid
CID 55139938
5-amino-2-(dimethylamino)-N-hexylbenzamide
CID 61112107

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide (CID 62997396) is 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is Cc1ccc(CNC(=O)c2cc(N)ccc2N(C)C)cn1.
What is the InChIKey of 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is ZCTISSRNWPVFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-4-5-12(9-18-11)10-19-16(21)14-8-13(17)6-7-15(14)20(2)3/h4-9H,10,17H2,1-3H3,(H,19,21).
What are the key properties of 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide?
5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 284.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(dimethylamino)-N-[(6-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 62997396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).