N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide

C26H25N3O5 — CID 24761612

IUPACN-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C)c2)c(OC)c1
InChIInChI=1S/C26H25N3O5/c1-15-6-5-7-18(10-15)28-26-21(12-20-17(14-30)13-27-16(2)24(20)34-26)25(31)29-22-9-8-19(32-3)11-23(22)33-4/h5-13,30H,14H2,1-4H3,(H,29,31)/b28-26-
InChIKeyKALJQQMCDKHXLL-SGEDCAFJSA-N
MW459.50 g/mol
LogP4.44
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide

N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 24761612) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID24761612
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC NameN-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C)c2)c(OC)c1
InChIInChI=1S/C26H25N3O5/c1-15-6-5-7-18(10-15)28-26-21(12-20-17(14-30)13-27-16(2)24(20)34-26)25(31)29-22-9-8-19(32-3)11-23(22)33-4/h5-13,30H,14H2,1-4H3,(H,29,31)/b28-26-
InChIKeyKALJQQMCDKHXLL-SGEDCAFJSA-N
XLogP4.44
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 15955916
5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 3444611
N-(2-ethylphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 5212498
2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 5057442
2-(4-chlorophenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5218954
2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 4615110
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
[3-[(2,4-dimethoxyphenyl)carbamoyl]-2-(2-ethoxyphenyl)imino-8-methylpyrano[2,3-c]pyridin-5-yl]methyl butanoate
CID 46369148
N-(2,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 50742985
5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carbothioamide
CID 7125874
5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 4611596

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide (CID 24761612) is N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(C)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is KALJQQMCDKHXLL-SGEDCAFJSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-15-6-5-7-18(10-15)28-26-21(12-20-17(14-30)13-27-16(2)24(20)34-26)25(31)29-22-9-8-19(32-3)11-23(22)33-4/h5-13,30H,14H2,1-4H3,(H,29,31)/b28-26-.
What are the key properties of N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 459.50 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 24761612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).