(2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C17H16F2N2O3 — CID 134363767

IUPAC(2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCOC[C@@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C17H16F2N2O3/c1-23-8-10-3-5-12-13(11-4-2-9(18)6-14(11)19)7-15(16(20)22)21-17(12)24-10/h2,4,6-7,10H,3,5,8H2,1H3,(H2,20,22)/t10-/m0/s1
InChIKeyIXPOHQOMHGWCTA-JTQLQIEISA-N
MW334.32 g/mol
LogP2.47
Rot. Bonds4

About (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363767) has the molecular formula C17H16F2N2O3 and a molecular weight of 334.32 g/mol. Its IUPAC name is (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363767
Molecular FormulaC17H16F2N2O3
Molecular Weight334.32 g/mol
Exact Mass334.11
IUPAC Name(2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCOC[C@@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C17H16F2N2O3/c1-23-8-10-3-5-12-13(11-4-2-9(18)6-14(11)19)7-15(16(20)22)21-17(12)24-10/h2,4,6-7,10H,3,5,8H2,1H3,(H2,20,22)/t10-/m0/s1
InChIKeyIXPOHQOMHGWCTA-JTQLQIEISA-N
XLogP2.47
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363767) is (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is COC[C@@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1.
What is the InChIKey of (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is IXPOHQOMHGWCTA-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16F2N2O3/c1-23-8-10-3-5-12-13(11-4-2-9(18)6-14(11)19)7-15(16(20)22)21-17(12)24-10/h2,4,6-7,10H,3,5,8H2,1H3,(H2,20,22)/t10-/m0/s1.
What are the key properties of (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 334.32 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(2,4-difluorophenyl)-2-(methoxymethyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).