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

C18H16F4N2O3 — CID 134363741

IUPAC(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESC[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1COC(F)F
InChIInChI=1S/C18H16F4N2O3/c1-8-4-12-11(10-3-2-9(19)5-13(10)20)6-14(16(23)25)24-17(12)27-15(8)7-26-18(21)22/h2-3,5-6,8,15,18H,4,7H2,1H3,(H2,23,25)/t8-,15+/m0/s1
InChIKeyPLFSBUVZIYVXAH-VXJOIVPMSA-N
MW384.33 g/mol
LogP3.30
Rot. Bonds5

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

(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363741) has the molecular formula C18H16F4N2O3 and a molecular weight of 384.33 g/mol. Its IUPAC name is (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363741
Molecular FormulaC18H16F4N2O3
Molecular Weight384.33 g/mol
Exact Mass384.11
IUPAC Name(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESC[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1COC(F)F
InChIInChI=1S/C18H16F4N2O3/c1-8-4-12-11(10-3-2-9(19)5-13(10)20)6-14(16(23)25)24-17(12)27-15(8)7-26-18(21)22/h2-3,5-6,8,15,18H,4,7H2,1H3,(H2,23,25)/t8-,15+/m0/s1
InChIKeyPLFSBUVZIYVXAH-VXJOIVPMSA-N
XLogP3.30
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363741) is (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is C[C@H]1Cc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O[C@@H]1COC(F)F.
What is the InChIKey of (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is PLFSBUVZIYVXAH-VXJOIVPMSA-N. The full InChI is InChI=1S/C18H16F4N2O3/c1-8-4-12-11(10-3-2-9(19)5-13(10)20)6-14(16(23)25)24-17(12)27-15(8)7-26-18(21)22/h2-3,5-6,8,15,18H,4,7H2,1H3,(H2,23,25)/t8-,15+/m0/s1.
What are the key properties of (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 384.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(difluoromethoxymethyl)-5-(2,4-difluorophenyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).