2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide

C15H17N3O — CID 114701849

IUPAC2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccncc2C)c(N)c1
InChIInChI=1S/C15H17N3O/c1-10-3-4-13(14(16)7-10)15(19)18-9-12-5-6-17-8-11(12)2/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeyJQFCJCWEXXZHHC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.21
Rot. Bonds3

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

2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide (PubChem CID 114701849) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
PubChem CID114701849
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
SMILESCc1ccc(C(=O)NCc2ccncc2C)c(N)c1
InChIInChI=1S/C15H17N3O/c1-10-3-4-13(14(16)7-10)15(19)18-9-12-5-6-17-8-11(12)2/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeyJQFCJCWEXXZHHC-UHFFFAOYSA-N
XLogP2.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
5-methyl-2-(methylamino)-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701834
3,5-diamino-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698194
2,4-dihydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957549
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114955995
2,4-dibromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104956264
4-amino-3-bromo-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700251
4-fluoro-2-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 104957562
3-amino-4,5-dichloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698144
2-amino-3-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698206
3-hydroxy-2-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700649
2-hydroxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114700654

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide (CID 114701849) is 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide is Cc1ccc(C(=O)NCc2ccncc2C)c(N)c1.
What is the InChIKey of 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
The InChIKey is JQFCJCWEXXZHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-3-4-13(14(16)7-10)15(19)18-9-12-5-6-17-8-11(12)2/h3-8H,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide?
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114701849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).