3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide

C15H17N3O2 — CID 61275557

IUPAC3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)c(N)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-10-3-5-12(7-13(10)16)15(19)18-9-11-4-6-14(20-2)17-8-11/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeyNARSFPFRBFITMO-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.91
Rot. Bonds4

About 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide

3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide (PubChem CID 61275557) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
PubChem CID61275557
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)c(N)c2)cn1
InChIInChI=1S/C15H17N3O2/c1-10-3-5-12(7-13(10)16)15(19)18-9-11-4-6-14(20-2)17-8-11/h3-8H,9,16H2,1-2H3,(H,18,19)
InChIKeyNARSFPFRBFITMO-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'}

Analyze 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide 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

1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-amino-5-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 62991277
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
N-[(6-methoxy-3-pyridinyl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998680
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
3,5-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 16602233
3-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propan-2-yloxybenzamide
CID 51306028
N-[(6-methoxy-3-pyridinyl)methyl]-4-phenylbenzamide
CID 24589971
3-amino-N-[(3-methoxyphenyl)methyl]-4-methylbenzamide
CID 60873375

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide?
The IUPAC name of 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide (CID 61275557) is 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide?
The canonical SMILES for 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide is COc1ccc(CNC(=O)c2ccc(C)c(N)c2)cn1.
What is the InChIKey of 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide?
The InChIKey is NARSFPFRBFITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-3-5-12(7-13(10)16)15(19)18-9-11-4-6-14(20-2)17-8-11/h3-8H,9,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide?
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-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 3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide is sourced from PubChem (CID 61275557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).