2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide

C15H17N3O2 — CID 62990733

IUPAC2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
SMILESCOc1cc(CNC(=O)c2c(C)cccc2N)ccn1
InChIInChI=1S/C15H17N3O2/c1-10-4-3-5-12(16)14(10)15(19)18-9-11-6-7-17-13(8-11)20-2/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeyGAOOWVWBDRMGAJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds4

About 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide

2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide (PubChem CID 62990733) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
PubChem CID62990733
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide
SMILESCOc1cc(CNC(=O)c2c(C)cccc2N)ccn1
InChIInChI=1S/C15H17N3O2/c1-10-4-3-5-12(16)14(10)15(19)18-9-11-6-7-17-13(8-11)20-2/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeyGAOOWVWBDRMGAJ-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-amino-6-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 81394679
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylpyridine-3-carboxamide
CID 81242051
2-amino-6-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 16782894
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
N-[(2-methoxy-4-pyridinyl)methyl]-4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxamide
CID 51112604
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
CID 47142420
3-fluoro-2-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62989936
2-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-6-methylbenzamide
CID 107229451

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide (CID 62990733) is 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide is COc1cc(CNC(=O)c2c(C)cccc2N)ccn1.
What is the InChIKey of 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide?
The InChIKey is GAOOWVWBDRMGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-4-3-5-12(16)14(10)15(19)18-9-11-6-7-17-13(8-11)20-2/h3-8H,9,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide?
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide 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-N-[(2-methoxy-4-pyridinyl)methyl]-6-methylbenzamide is sourced from PubChem (CID 62990733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).