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

C18H17N3O4 — CID 4280863

IUPAC5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C18H17N3O4/c1-10-16-12(11(9-22)8-20-10)7-13(17(19)25-16)18(23)21-14-5-3-4-6-15(14)24-2/h3-8,19,22H,9H2,1-2H3,(H,21,23)/b19-17-
InChIKeyOCIXYVFMQGHWAY-ZPHPHTNESA-N
MW339.35 g/mol
LogP2.37
Rot. Bonds4

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

5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 4280863) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID4280863
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILES[H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1OC
InChIInChI=1S/C18H17N3O4/c1-10-16-12(11(9-22)8-20-10)7-13(17(19)25-16)18(23)21-14-5-3-4-6-15(14)24-2/h3-8,19,22H,9H2,1-2H3,(H,21,23)/b19-17-
InChIKeyOCIXYVFMQGHWAY-ZPHPHTNESA-N
XLogP2.37
TPSA108.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-fluoro-2-methylphenyl)-5-(hydroxymethyl)-2-imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 22425475
5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 3444611
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044
N-(2-fluorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5233830
N-(2,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 50742985
[3-[(2-methoxyphenyl)carbamoyl]-8-methyl-2-oxopyrano[2,3-c]pyridin-5-yl]methyl propanoate
CID 46346293
8-ethoxy-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide
CID 19573961
N-(5-chloro-2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 22588292
N-(4-bromophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142465
N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 24761612
N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 15955916
N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 15999418

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 4280863) is 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is [H]/N=c1\oc2c(C)ncc(CO)c2cc1C(=O)Nc1ccccc1OC.
What is the InChIKey of 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is OCIXYVFMQGHWAY-ZPHPHTNESA-N. The full InChI is InChI=1S/C18H17N3O4/c1-10-16-12(11(9-22)8-20-10)7-13(17(19)25-16)18(23)21-14-5-3-4-6-15(14)24-2/h3-8,19,22H,9H2,1-2H3,(H,21,23)/b19-17-.
What are the key properties of 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 339.35 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-imino-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 4280863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).