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

C27H27N3O7 — CID 15955916

IUPACN-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C27H27N3O7/c1-15-25-19(16(14-31)13-28-15)12-20(26(32)30-21-8-7-18(33-2)11-23(21)35-4)27(37-25)29-17-6-9-22(34-3)24(10-17)36-5/h6-13,31H,14H2,1-5H3,(H,30,32)/b29-27-
InChIKeyLUEXQLJNLCCUML-OHYPFYFLSA-N
MW505.53 g/mol
LogP4.15
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 15955916) has the molecular formula C27H27N3O7 and a molecular weight of 505.53 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
PubChem CID15955916
Molecular FormulaC27H27N3O7
Molecular Weight505.53 g/mol
Exact Mass505.18
IUPAC NameN-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(OC)c(OC)c2)c(OC)c1
InChIInChI=1S/C27H27N3O7/c1-15-25-19(16(14-31)13-28-15)12-20(26(32)30-21-8-7-18(33-2)11-23(21)35-4)27(37-25)29-17-6-9-22(34-3)24(10-17)36-5/h6-13,31H,14H2,1-5H3,(H,30,32)/b29-27-
InChIKeyLUEXQLJNLCCUML-OHYPFYFLSA-N
XLogP4.15
TPSA124.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.53
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 24761612
N-(2,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
CID 50742985
2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 15955914
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
[3-[(2-methoxy-5-methylphenyl)carbamoyl]-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridin-5-yl]methyl acetate
CID 3403043
5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]-2-(3,4,5-trimethoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 4611596
5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carbothioamide
CID 7125874
2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 5057442
N-(4-bromophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142465
2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 4615110

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide (CID 15955916) is N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is COc1ccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccc(OC)c(OC)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is LUEXQLJNLCCUML-OHYPFYFLSA-N. The full InChI is InChI=1S/C27H27N3O7/c1-15-25-19(16(14-31)13-28-15)12-20(26(32)30-21-8-7-18(33-2)11-23(21)35-4)27(37-25)29-17-6-9-22(34-3)24(10-17)36-5/h6-13,31H,14H2,1-5H3,(H,30,32)/b29-27-.
What are the key properties of N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 505.53 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-(3,4-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 15955916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).