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

C25H23N3O5 — CID 15999418

IUPACN-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)cc(OC)c1
InChIInChI=1S/C25H23N3O5/c1-15-23-21(16(14-29)13-26-15)12-22(25(33-23)28-17-7-5-4-6-8-17)24(30)27-18-9-19(31-2)11-20(10-18)32-3/h4-13,29H,14H2,1-3H3,(H,27,30)/b28-25-
InChIKeyHRNBMQSUYBUQAN-FVDSYPCUSA-N
MW445.48 g/mol
LogP4.13
Rot. Bonds6

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

N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 15999418) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID15999418
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)cc(OC)c1
InChIInChI=1S/C25H23N3O5/c1-15-23-21(16(14-29)13-26-15)12-22(25(33-23)28-17-7-5-4-6-8-17)24(30)27-18-9-19(31-2)11-20(10-18)32-3/h4-13,29H,14H2,1-3H3,(H,27,30)/b28-25-
InChIKeyHRNBMQSUYBUQAN-FVDSYPCUSA-N
XLogP4.13
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide with MolForge

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Related Compounds

2-(4-carbamoylphenyl)imino-N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 15955914
5-(hydroxymethyl)-N-(2-methoxyphenyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide
CID 3444611
2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-[3-(trifluoromethyl)phenyl]pyrano[2,3-c]pyridine-3-carboxamide
CID 4615110
2-(4-chlorophenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 5218954
N-(3,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-(4-phenoxyphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 53337890
N-(4-bromophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4142465
methyl 4-[[5-(hydroxymethyl)-8-methyl-2-(4-methylphenyl)iminopyrano[2,3-c]pyridine-3-carbonyl]amino]benzoate
CID 3411454
2-(4-ethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
CID 5057442
N-(4-bromophenyl)-2-(4-fluorophenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4139764
N-(2,4-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)iminopyrano[2,3-c]pyridine-3-carboxamide
CID 24761612
N-(2-chlorophenyl)-5-(hydroxymethyl)-2-(2-methoxyphenyl)imino-8-methylpyrano[2,3-c]pyridine-3-carboxamide
CID 4618044
methyl 4-[[2-(4-ethoxycarbonylphenyl)imino-5-(hydroxymethyl)-8-methylpyrano[2,3-c]pyridine-3-carbonyl]amino]benzoate
CID 5077861

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide (CID 15999418) is N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide is COc1cc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2ccccc2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is HRNBMQSUYBUQAN-FVDSYPCUSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-15-23-21(16(14-29)13-26-15)12-22(25(33-23)28-17-7-5-4-6-8-17)24(30)27-18-9-19(31-2)11-20(10-18)32-3/h4-13,29H,14H2,1-3H3,(H,27,30)/b28-25-.
What are the key properties of N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide?
N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-5-(hydroxymethyl)-8-methyl-2-phenyliminopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 15999418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).