N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

C17H12F2N2O4 — CID 22425469

IUPACN-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ncc(CO)c2cc(C(=O)Nc3ccc(F)cc3F)c(=O)oc12
InChIInChI=1S/C17H12F2N2O4/c1-8-15-11(9(7-22)6-20-8)5-12(17(24)25-15)16(23)21-14-3-2-10(18)4-13(14)19/h2-6,22H,7H2,1H3,(H,21,23)
InChIKeyPKIFIOZIHFSJCO-UHFFFAOYSA-N
MW346.29 g/mol
LogP2.52
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide

N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (PubChem CID 22425469) has the molecular formula C17H12F2N2O4 and a molecular weight of 346.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
PubChem CID22425469
Molecular FormulaC17H12F2N2O4
Molecular Weight346.29 g/mol
Exact Mass346.08
IUPAC NameN-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide
SMILESCc1ncc(CO)c2cc(C(=O)Nc3ccc(F)cc3F)c(=O)oc12
InChIInChI=1S/C17H12F2N2O4/c1-8-15-11(9(7-22)6-20-8)5-12(17(24)25-15)16(23)21-14-3-2-10(18)4-13(14)19/h2-6,22H,7H2,1H3,(H,21,23)
InChIKeyPKIFIOZIHFSJCO-UHFFFAOYSA-N
XLogP2.52
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide (CID 22425469) is N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is Cc1ncc(CO)c2cc(C(=O)Nc3ccc(F)cc3F)c(=O)oc12.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
The InChIKey is PKIFIOZIHFSJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O4/c1-8-15-11(9(7-22)6-20-8)5-12(17(24)25-15)16(23)21-14-3-2-10(18)4-13(14)19/h2-6,22H,7H2,1H3,(H,21,23).
What are the key properties of N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide?
N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide has a molecular weight of 346.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(hydroxymethyl)-8-methyl-2-oxopyrano[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 22425469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).