4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide

C16H19N3O2 — CID 114936579

IUPAC4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(OC)nc2)c(C)c1
InChIInChI=1S/C16H19N3O2/c1-11-8-13(16(20)17-2)5-6-14(11)18-9-12-4-7-15(21-3)19-10-12/h4-8,10,18H,9H2,1-3H3,(H,17,20)
InChIKeyTZNGZPHJNOCQPI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.37
Rot. Bonds5

About 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide

4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide (PubChem CID 114936579) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide.

Molecular Properties

Compound Name4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide
PubChem CID114936579
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide
SMILESCNC(=O)c1ccc(NCc2ccc(OC)nc2)c(C)c1
InChIInChI=1S/C16H19N3O2/c1-11-8-13(16(20)17-2)5-6-14(11)18-9-12-4-7-15(21-3)19-10-12/h4-8,10,18H,9H2,1-3H3,(H,17,20)
InChIKeyTZNGZPHJNOCQPI-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

3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
3-[(6-methoxy-3-pyridinyl)methylamino]-N,2-dimethylbenzamide
CID 114936559
4-[(3,4-dichlorophenyl)methylamino]-N,3-dimethylbenzamide
CID 43740076
4-ethoxy-N-[(6-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 114936663
4-(ethylamino)-N-(6-methoxy-3-pyridinyl)-3-methylbenzamide
CID 63210411
3-amino-N-[(6-methoxy-3-pyridinyl)methyl]-4-methylbenzamide
CID 61275557
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-[(6-methoxy-3-pyridinyl)methylamino]-2,6-dimethylphenol
CID 114936585
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
4-[(2,6-dimethylphenyl)methylamino]-N,3-dimethylbenzamide
CID 78997216
4-[(E)-3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxoprop-1-enyl]-N-methylbenzamide
CID 51076627

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide?
The IUPAC name of 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide (CID 114936579) is 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide.
What is the SMILES notation for 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide?
The canonical SMILES for 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide is CNC(=O)c1ccc(NCc2ccc(OC)nc2)c(C)c1.
What is the InChIKey of 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide?
The InChIKey is TZNGZPHJNOCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-8-13(16(20)17-2)5-6-14(11)18-9-12-4-7-15(21-3)19-10-12/h4-8,10,18H,9H2,1-3H3,(H,17,20).
What are the key properties of 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide?
4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-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 4-[(6-methoxy-3-pyridinyl)methylamino]-N,3-dimethylbenzamide is sourced from PubChem (CID 114936579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).