N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

C16H18N2O2 — CID 56817769

IUPACN,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H18N2O2/c1-12-6-4-5-7-13(12)10-18(3)16(20)14-8-9-15(19)17(2)11-14/h4-9,11H,10H2,1-3H3
InChIKeyBITXDTQTFOJKHB-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.97
Rot. Bonds3

About N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide

N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (PubChem CID 56817769) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
PubChem CID56817769
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide
SMILESCc1ccccc1CN(C)C(=O)c1ccc(=O)n(C)c1
InChIInChI=1S/C16H18N2O2/c1-12-6-4-5-7-13(12)10-18(3)16(20)14-8-9-15(19)17(2)11-14/h4-9,11H,10H2,1-3H3
InChIKeyBITXDTQTFOJKHB-UHFFFAOYSA-N
XLogP1.97
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 51098556
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
N-methyl-N-[(2-methylphenyl)methyl]thiophene-3-carboxamide
CID 78803856
3-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60636386
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide (CID 56817769) is N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is Cc1ccccc1CN(C)C(=O)c1ccc(=O)n(C)c1.
What is the InChIKey of N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
The InChIKey is BITXDTQTFOJKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-6-4-5-7-13(12)10-18(3)16(20)14-8-9-15(19)17(2)11-14/h4-9,11H,10H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide?
N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[(2-methylphenyl)methyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 56817769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).