N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

C19H17ClN2O6 — CID 22588292

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1Cl
InChIInChI=1S/C19H17ClN2O6/c1-9-17-11(10(8-23)7-21-9)4-12(19(25)28-17)18(24)22-14-5-13(20)15(26-2)6-16(14)27-3/h4-7,23H,8H2,1-3H3,(H,22,24)
InChIKeyVCRJTIRVKDFBLM-UHFFFAOYSA-N
MW404.81 g/mol
LogP2.91
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 22588292) has the molecular formula C19H17ClN2O6 and a molecular weight of 404.81 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID22588292
Molecular FormulaC19H17ClN2O6
Molecular Weight404.81 g/mol
Exact Mass404.08
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(OC)c(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1Cl
InChIInChI=1S/C19H17ClN2O6/c1-9-17-11(10(8-23)7-21-9)4-12(19(25)28-17)18(24)22-14-5-13(20)15(26-2)6-16(14)27-3/h4-7,23H,8H2,1-3H3,(H,22,24)
InChIKeyVCRJTIRVKDFBLM-UHFFFAOYSA-N
XLogP2.91
TPSA110.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.81
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (CID 22588292) is N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is COc1cc(OC)c(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is VCRJTIRVKDFBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O6/c1-9-17-11(10(8-23)7-21-9)4-12(19(25)28-17)18(24)22-14-5-13(20)15(26-2)6-16(14)27-3/h4-7,23H,8H2,1-3H3,(H,22,24).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 404.81 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 22588292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).