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

C21H23N3O5 — CID 3238242

IUPAC2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCCOc1ccc(OCC)c(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=O)c1
InChIInChI=1S/C21H23N3O5/c1-4-27-14-6-7-18(28-5-2)17(8-14)24-21-16(20(22)26)9-15-13(11-25)10-23-12(3)19(15)29-21/h6-10,25H,4-5,11H2,1-3H3,(H2,22,26)/b24-21-
InChIKeyYHWALNZGWNGIGF-FLFQWRMESA-N
MW397.43 g/mol
LogP2.76
Rot. Bonds7

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

2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 3238242) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID3238242
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCCOc1ccc(OCC)c(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=O)c1
InChIInChI=1S/C21H23N3O5/c1-4-27-14-6-7-18(28-5-2)17(8-14)24-21-16(20(22)26)9-15-13(11-25)10-23-12(3)19(15)29-21/h6-10,25H,4-5,11H2,1-3H3,(H2,22,26)/b24-21-
InChIKeyYHWALNZGWNGIGF-FLFQWRMESA-N
XLogP2.76
TPSA120.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2Z)-2-[(3,4-dimethoxyphenyl)imino]-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444613
(2Z)-5-(hydroxymethyl)-2-[(3-methoxyphenyl)imino]-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4095163
(2Z)-5-(hydroxymethyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4390920
(2Z)-2-[(3,5-dimethoxyphenyl)imino]-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4649186
{3-[(3-Fluorophenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-C]pyridin-5-YL}methyl acetate
CID 16028072
(2Z)-2-{[3-(aminocarbonyl)phenyl]imino}-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 16002908
{3-[(4-Ethylphenyl)carbamoyl]-8-methyl-2-oxo-2H-pyrano[2,3-C]pyridin-5-YL}methyl propanoate
CID 16028084
(8-Methyl-2-oxo-3-{[2-(trifluoromethyl)phenyl]carbamoyl}-2H-pyrano[2,3-C]pyridin-5-YL)methyl 2-methylpropanoate
CID 16028086
(2Z)-5-(hydroxymethyl)-8-methyl-2-(phenylimino)-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3244493
(2Z)-2-{[3-(aminocarbonyl)phenyl]imino}-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444608
(2Z)-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-(phenylimino)-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 3444611
(2Z)-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-[(3,4,5-trimethoxyphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carboxamide
CID 4432641

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 3238242) is 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is CCOc1ccc(OCC)c(/N=c2\oc3c(C)ncc(CO)c3cc2C(N)=O)c1.
What is the InChIKey of 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is YHWALNZGWNGIGF-FLFQWRMESA-N. The full InChI is InChI=1S/C21H23N3O5/c1-4-27-14-6-7-18(28-5-2)17(8-14)24-21-16(20(22)26)9-15-13(11-25)10-23-12(3)19(15)29-21/h6-10,25H,4-5,11H2,1-3H3,(H2,22,26)/b24-21-.
What are the key properties of 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-diethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3238242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).