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

C25H23N3O5 — CID 15999418

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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