N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide

C17H20N2O3 — CID 118046535

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C17H20N2O3/c1-10-8-11(2)19-17(21)14(10)9-18-16(20)13-6-5-7-15(22-4)12(13)3/h5-8H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPJZRSEKWQPTNFO-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.24
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide (PubChem CID 118046535) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide
PubChem CID118046535
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C
InChIInChI=1S/C17H20N2O3/c1-10-8-11(2)19-17(21)14(10)9-18-16(20)13-6-5-7-15(22-4)12(13)3/h5-8H,9H2,1-4H3,(H,18,20)(H,19,21)
InChIKeyPJZRSEKWQPTNFO-UHFFFAOYSA-N
XLogP2.24
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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5-methoxy-3-(4-methylphenyl)-2H-isoquinolin-1-one
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3-Methoxy-N-piperidin-4-yl-benzamide
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3-methoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2914414
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CID 13521672

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide (CID 118046535) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide?
The InChIKey is PJZRSEKWQPTNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-8-11(2)19-17(21)14(10)9-18-16(20)13-6-5-7-15(22-4)12(13)3/h5-8H,9H2,1-4H3,(H,18,20)(H,19,21).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide has a molecular weight of 300.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 118046535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).