2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide

C26H25N3O6 — CID 3444613

IUPAC2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H25N3O6/c1-15-24-18(16(14-30)13-27-15)12-19(25(31)29-20-7-5-6-8-21(20)32-2)26(35-24)28-17-9-10-22(33-3)23(11-17)34-4/h5-13,30H,14H2,1-4H3,(H,29,31)/b28-26-
InChIKeyADAWTFJGUONVQV-SGEDCAFJSA-N
MW475.50 g/mol
LogP4.14
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide

2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 3444613) has the molecular formula C26H25N3O6 and a molecular weight of 475.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID3444613
Molecular FormulaC26H25N3O6
Molecular Weight475.50 g/mol
Exact Mass475.17
IUPAC Name2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(OC)c(OC)c1
InChIInChI=1S/C26H25N3O6/c1-15-24-18(16(14-30)13-27-15)12-19(25(31)29-20-7-5-6-8-21(20)32-2)26(35-24)28-17-9-10-22(33-3)23(11-17)34-4/h5-13,30H,14H2,1-4H3,(H,29,31)/b28-26-
InChIKeyADAWTFJGUONVQV-SGEDCAFJSA-N
XLogP4.14
TPSA115.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 3444613) is 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is COc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is ADAWTFJGUONVQV-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H25N3O6/c1-15-24-18(16(14-30)13-27-15)12-19(25(31)29-20-7-5-6-8-21(20)32-2)26(35-24)28-17-9-10-22(33-3)23(11-17)34-4/h5-13,30H,14H2,1-4H3,(H,29,31)/b28-26-.
What are the key properties of 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 475.50 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3444613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).