6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide

C18H21N3O3 — CID 92620901

IUPAC6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CNC(=O)COC)cc2)nc1C
InChIInChI=1S/C18H21N3O3/c1-12-15(18(23)19-2)8-9-16(21-12)14-6-4-13(5-7-14)10-20-17(22)11-24-3/h4-9H,10-11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyZPZGSTCDTXGFHE-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.68
Rot. Bonds6

About 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide

6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 92620901) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID92620901
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CNC(=O)COC)cc2)nc1C
InChIInChI=1S/C18H21N3O3/c1-12-15(18(23)19-2)8-9-16(21-12)14-6-4-13(5-7-14)10-20-17(22)11-24-3/h4-9H,10-11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyZPZGSTCDTXGFHE-UHFFFAOYSA-N
XLogP1.68
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide (CID 92620901) is 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccc(CNC(=O)COC)cc2)nc1C.
What is the InChIKey of 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is ZPZGSTCDTXGFHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-15(18(23)19-2)8-9-16(21-12)14-6-4-13(5-7-14)10-20-17(22)11-24-3/h4-9H,10-11H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(2-methoxyacetyl)amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92620901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).