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

C18H15ClN2O5 — CID 5218956

IUPACN-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1Cl
InChIInChI=1S/C18H15ClN2O5/c1-9-16-12(10(8-22)7-20-9)6-13(18(24)26-16)17(23)21-11-3-4-15(25-2)14(19)5-11/h3-7,22H,8H2,1-2H3,(H,21,23)
InChIKeyYOJAGGIELYGPSZ-UHFFFAOYSA-N
MW374.78 g/mol
LogP2.90
Rot. Bonds4

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

N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 5218956) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID5218956
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC NameN-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1Cl
InChIInChI=1S/C18H15ClN2O5/c1-9-16-12(10(8-22)7-20-9)6-13(18(24)26-16)17(23)21-11-3-4-15(25-2)14(19)5-11/h3-7,22H,8H2,1-2H3,(H,21,23)
InChIKeyYOJAGGIELYGPSZ-UHFFFAOYSA-N
XLogP2.90
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (CID 5218956) is N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3oc2=O)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is YOJAGGIELYGPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-9-16-12(10(8-22)7-20-9)6-13(18(24)26-16)17(23)21-11-3-4-15(25-2)14(19)5-11/h3-7,22H,8H2,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 374.78 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 5218956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).