1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

C18H23N3O2 — CID 53040705

IUPAC1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(=O)n(CCN(C)C)c2)c1
InChIInChI=1S/C18H23N3O2/c1-14-5-4-6-15(11-14)12-19-18(23)16-7-8-17(22)21(13-16)10-9-20(2)3/h4-8,11,13H,9-10,12H2,1-3H3,(H,19,23)
InChIKeyVVULTDUBYGIBGW-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.65
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 53040705) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID53040705
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(=O)n(CCN(C)C)c2)c1
InChIInChI=1S/C18H23N3O2/c1-14-5-4-6-15(11-14)12-19-18(23)16-7-8-17(22)21(13-16)10-9-20(2)3/h4-8,11,13H,9-10,12H2,1-3H3,(H,19,23)
InChIKeyVVULTDUBYGIBGW-UHFFFAOYSA-N
XLogP1.65
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 110692988
4-(hydroxymethyl)-N-[(3-methylphenyl)methyl]benzamide
CID 134067704
2-N-hydroxy-6-N-[(3-methylphenyl)methyl]naphthalene-2,6-dicarboxamide
CID 25256330
4-N-[3-(dimethylamino)propyl]-2-N-[(3-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083872
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
N-(2,6-dimethylphenyl)-1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671359
1-[2-(dimethylamino)ethyl]-6-oxo-N-(3-phenylcyclobutyl)pyridine-3-carboxamide
CID 178166240
2-methyl-N-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 110704167
4-N-(3-methylphenyl)-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046885
3,4-dichloro-N-[(3-methylphenyl)methyl]benzamide
CID 38295590
methyl 1-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxylate
CID 30093772
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 53040705) is 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1cccc(CNC(=O)c2ccc(=O)n(CCN(C)C)c2)c1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is VVULTDUBYGIBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-5-4-6-15(11-14)12-19-18(23)16-7-8-17(22)21(13-16)10-9-20(2)3/h4-8,11,13H,9-10,12H2,1-3H3,(H,19,23).
What are the key properties of 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-N-[(3-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 53040705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).