3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide

C16H19N3O2 — CID 114936559

IUPAC3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(OC)nc2)c1C
InChIInChI=1S/C16H19N3O2/c1-11-13(16(20)17-2)5-4-6-14(11)18-9-12-7-8-15(21-3)19-10-12/h4-8,10,18H,9H2,1-3H3,(H,17,20)
InChIKeyBTMVHUFTXBMAOA-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds5

About 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide

3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide (PubChem CID 114936559) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
PubChem CID114936559
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(OC)nc2)c1C
InChIInChI=1S/C16H19N3O2/c1-11-13(16(20)17-2)5-4-6-14(11)18-9-12-7-8-15(21-3)19-10-12/h4-8,10,18H,9H2,1-3H3,(H,17,20)
InChIKeyBTMVHUFTXBMAOA-UHFFFAOYSA-N
XLogP2.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide
CID 114936579
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
N,2-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 43734492
3-[(3-hydroxyphenyl)methylamino]-N,2-dimethylbenzamide
CID 43734564
3-[(6-methoxy-3-pyridinyl)methylamino]-2,6-dimethylphenol
CID 114936585
2-amino-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 61250537
2-benzyl-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51316857
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]benzamide
CID 62749644
N-[(6-methoxy-3-pyridinyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239641
N-[(6-methoxy-3-pyridinyl)methyl]-2-propan-2-yloxyaniline
CID 114936575
3-amino-5-[(6-methoxy-3-pyridinyl)methylamino]-N-methyl-1,2-thiazole-4-carboxamide
CID 103380109

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide (CID 114936559) is 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NCc2ccc(OC)nc2)c1C.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide?
The InChIKey is BTMVHUFTXBMAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-13(16(20)17-2)5-4-6-14(11)18-9-12-7-8-15(21-3)19-10-12/h4-8,10,18H,9H2,1-3H3,(H,17,20).
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide?
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide has a molecular weight of 285.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide is sourced from PubChem (CID 114936559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).