2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide

C24H20FN3O3 — CID 3270511

IUPAC2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(F)c2)c1
InChIInChI=1S/C24H20FN3O3/c1-14-5-3-7-18(9-14)27-23(30)21-11-20-16(13-29)12-26-15(2)22(20)31-24(21)28-19-8-4-6-17(25)10-19/h3-12,29H,13H2,1-2H3,(H,27,30)/b28-24-
InChIKeyVUZPSPRRLVMOPQ-COOPMVRXSA-N
MW417.44 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide

2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 3270511) has the molecular formula C24H20FN3O3 and a molecular weight of 417.44 g/mol. Its IUPAC name is 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
PubChem CID3270511
Molecular FormulaC24H20FN3O3
Molecular Weight417.44 g/mol
Exact Mass417.15
IUPAC Name2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(F)c2)c1
InChIInChI=1S/C24H20FN3O3/c1-14-5-3-7-18(9-14)27-23(30)21-11-20-16(13-29)12-26-15(2)22(20)31-24(21)28-19-8-4-6-17(25)10-19/h3-12,29H,13H2,1-2H3,(H,27,30)/b28-24-
InChIKeyVUZPSPRRLVMOPQ-COOPMVRXSA-N
XLogP4.56
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide (CID 3270511) is 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide is Cc1cccc(NC(=O)c2cc3c(CO)cnc(C)c3o/c2=N\c2cccc(F)c2)c1.
What is the InChIKey of 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is VUZPSPRRLVMOPQ-COOPMVRXSA-N. The full InChI is InChI=1S/C24H20FN3O3/c1-14-5-3-7-18(9-14)27-23(30)21-11-20-16(13-29)12-26-15(2)22(20)31-24(21)28-19-8-4-6-17(25)10-19/h3-12,29H,13H2,1-2H3,(H,27,30)/b28-24-.
What are the key properties of 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide?
2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 3270511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).