N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide

C16H18N2O4 — CID 162644637

IUPACN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2c(O)c(=O)cc(C)n2C)c1
InChIInChI=1S/C16H18N2O4/c1-10-7-14(19)15(20)13(18(10)2)9-17-16(21)11-5-4-6-12(8-11)22-3/h4-8,20H,9H2,1-3H3,(H,17,21)
InChIKeyCYRKNJAUBUHZGY-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.34
Rot. Bonds4

About N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide

N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide (PubChem CID 162644637) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide
PubChem CID162644637
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2c(O)c(=O)cc(C)n2C)c1
InChIInChI=1S/C16H18N2O4/c1-10-7-14(19)15(20)13(18(10)2)9-17-16(21)11-5-4-6-12(8-11)22-3/h4-8,20H,9H2,1-3H3,(H,17,21)
InChIKeyCYRKNJAUBUHZGY-UHFFFAOYSA-N
XLogP1.34
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-butyl-6-methyl-4-oxo-3-phenylmethoxy-2-pyridinyl)methyl]-3-methoxybenzamide
CID 167438203
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methoxybenzamide
CID 19292722
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-methoxybenzamide
CID 19296682
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-methoxybenzamide
CID 82163321
3-methoxy-N-tridecylbenzamide
CID 139819898
N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 17462321
N-[(3-methoxyphenyl)methyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 35676429
3-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 28568439

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide?
The IUPAC name of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide (CID 162644637) is N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide?
The canonical SMILES for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2c(O)c(=O)cc(C)n2C)c1.
What is the InChIKey of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide?
The InChIKey is CYRKNJAUBUHZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-7-14(19)15(20)13(18(10)2)9-17-16(21)11-5-4-6-12(8-11)22-3/h4-8,20H,9H2,1-3H3,(H,17,21).
What are the key properties of N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide?
N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide has a molecular weight of 302.33 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1,6-dimethyl-4-oxo-2-pyridinyl)methyl]-3-methoxybenzamide is sourced from PubChem (CID 162644637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).