5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide

C18H17N3O4 — CID 4095163

IUPAC5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=O)c1
InChIInChI=1S/C18H17N3O4/c1-10-16-14(11(9-22)8-20-10)7-15(17(19)23)18(25-16)21-12-4-3-5-13(6-12)24-2/h3-8,22H,9H2,1-2H3,(H2,19,23)/b21-18-
InChIKeyGEGNAZJRNUKYAO-UZYVYHOESA-N
MW339.35 g/mol
LogP1.97
Rot. Bonds4

About 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide

5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4095163) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID4095163
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=O)c1
InChIInChI=1S/C18H17N3O4/c1-10-16-14(11(9-22)8-20-10)7-15(17(19)23)18(25-16)21-12-4-3-5-13(6-12)24-2/h3-8,22H,9H2,1-2H3,(H2,19,23)/b21-18-
InChIKeyGEGNAZJRNUKYAO-UZYVYHOESA-N
XLogP1.97
TPSA110.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 4095163) is 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide is COc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=O)c1.
What is the InChIKey of 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is GEGNAZJRNUKYAO-UZYVYHOESA-N. The full InChI is InChI=1S/C18H17N3O4/c1-10-16-14(11(9-22)8-20-10)7-15(17(19)23)18(25-16)21-12-4-3-5-13(6-12)24-2/h3-8,22H,9H2,1-2H3,(H2,19,23)/b21-18-.
What are the key properties of 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4095163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).