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

C15H17N3O2 — CID 114955995

IUPAC2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cnccc2C)c(N)c1
InChIInChI=1S/C15H17N3O2/c1-10-5-6-17-8-11(10)9-18-15(19)13-4-3-12(20-2)7-14(13)16/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeyJTIJMJMVXURGBL-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds4

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

2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide (PubChem CID 114955995) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
PubChem CID114955995
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2cnccc2C)c(N)c1
InChIInChI=1S/C15H17N3O2/c1-10-5-6-17-8-11(10)9-18-15(19)13-4-3-12(20-2)7-14(13)16/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeyJTIJMJMVXURGBL-UHFFFAOYSA-N
XLogP1.91
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.91
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

2-fluoro-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 102882143
4-amino-2-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954314
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114701849
2-amino-N-[(2-ethylphenyl)methyl]-4-methoxybenzamide
CID 115413362
2-amino-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzamide
CID 114698170
2-amino-4-methoxy-N-[(2-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 115413011
3-amino-4-methyl-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954315
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
2-amino-N-[(4-hydroxyphenyl)methyl]-4-methoxybenzamide
CID 114332211
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
5-amino-1-methyl-N-[(4-methyl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 114957256

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide (CID 114955995) is 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide is COc1ccc(C(=O)NCc2cnccc2C)c(N)c1.
What is the InChIKey of 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
The InChIKey is JTIJMJMVXURGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-5-6-17-8-11(10)9-18-15(19)13-4-3-12(20-2)7-14(13)16/h3-8H,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide?
2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide has a molecular weight of 271.32 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[(4-methyl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 114955995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).