N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide

C16H19N3O2 — CID 86932107

IUPACN-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2ccn(C)c(=O)c2)c1
InChIInChI=1S/C16H19N3O2/c1-18(2)11-12-5-4-6-14(9-12)17-16(21)13-7-8-19(3)15(20)10-13/h4-10H,11H2,1-3H3,(H,17,21)
InChIKeyNSOYUIFYSIJQMJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.70
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide

N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 86932107) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID86932107
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2ccn(C)c(=O)c2)c1
InChIInChI=1S/C16H19N3O2/c1-18(2)11-12-5-4-6-14(9-12)17-16(21)13-7-8-19(3)15(20)10-13/h4-10H,11H2,1-3H3,(H,17,21)
InChIKeyNSOYUIFYSIJQMJ-UHFFFAOYSA-N
XLogP1.70
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(chloromethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 43697953
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
methyl 4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoate
CID 54326665
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-methylbenzamide
CID 104852189
3-bromo-N-[3-[(dimethylamino)methyl]phenyl]-5-fluorobenzamide
CID 86990495
N-[3-[(dimethylamino)methyl]phenyl]-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 86931987
4-(acetamidomethyl)-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86931986
N-[3-[(dimethylamino)methyl]phenyl]-5-hydroxypyridine-3-carboxamide
CID 63860097
N-(4-iodophenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103610749
3-[(dimethylamino)methyl]-N-(1-methylimidazol-2-yl)benzamide
CID 134708040
N-(3-hydroxy-4-methylphenyl)-1-methyl-2-oxopyridine-4-carboxamide
CID 103772619
N-(4-aminophenyl)-3-[(dimethylamino)methyl]benzamide
CID 84613744

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide (CID 86932107) is N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide is CN(C)Cc1cccc(NC(=O)c2ccn(C)c(=O)c2)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is NSOYUIFYSIJQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-18(2)11-12-5-4-6-14(9-12)17-16(21)13-7-8-19(3)15(20)10-13/h4-10H,11H2,1-3H3,(H,17,21).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide?
N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 86932107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).