1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

C16H18N2O5 — CID 110692939

IUPAC1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccn(C)c2=O)cc(OC)c1OC
InChIInChI=1S/C16H18N2O5/c1-18-7-5-6-11(16(18)20)15(19)17-10-8-12(21-2)14(23-4)13(9-10)22-3/h5-9H,1-4H3,(H,17,19)
InChIKeyYUBYWHNINGSEIB-UHFFFAOYSA-N
MW318.33 g/mol
LogP1.66
Rot. Bonds5

About 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide

1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 110692939) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
PubChem CID110692939
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cccn(C)c2=O)cc(OC)c1OC
InChIInChI=1S/C16H18N2O5/c1-18-7-5-6-11(16(18)20)15(19)17-10-8-12(21-2)14(23-4)13(9-10)22-3/h5-9H,1-4H3,(H,17,19)
InChIKeyYUBYWHNINGSEIB-UHFFFAOYSA-N
XLogP1.66
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692912
2-phenylmethoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 1328288
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 29176493
2-amino-N-[(3,4,5-trimethoxyphenyl)carbamoyl]benzamide
CID 108866717
N-(2,6-difluorophenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692966
3-acetyl-1-methylpyridin-2-one
CID 82527252
6-oxo-N-(3,4,5-trimethoxyphenyl)pyran-3-carboxamide
CID 110697559
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17411393
1-methyl-6-phenyl-N-(3,4,5-trimethoxyphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822498
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
N-(2-bromophenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide (CID 110692939) is 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is COc1cc(NC(=O)c2cccn(C)c2=O)cc(OC)c1OC.
What is the InChIKey of 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is YUBYWHNINGSEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-18-7-5-6-11(16(18)20)15(19)17-10-8-12(21-2)14(23-4)13(9-10)22-3/h5-9H,1-4H3,(H,17,19).
What are the key properties of 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide?
1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 110692939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).