(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C18H18F2N2O2 — CID 134363747

IUPAC(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCC(C)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C18H18F2N2O2/c1-9(2)16-6-5-12-13(11-4-3-10(19)7-14(11)20)8-15(17(21)23)22-18(12)24-16/h3-4,7-9,16H,5-6H2,1-2H3,(H2,21,23)/t16-/m1/s1
InChIKeyVURAXZAMAVXMOW-MRXNPFEDSA-N
MW332.35 g/mol
LogP3.48
Rot. Bonds3

About (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134363747) has the molecular formula C18H18F2N2O2 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134363747
Molecular FormulaC18H18F2N2O2
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCC(C)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1
InChIInChI=1S/C18H18F2N2O2/c1-9(2)16-6-5-12-13(11-4-3-10(19)7-14(11)20)8-15(17(21)23)22-18(12)24-16/h3-4,7-9,16H,5-6H2,1-2H3,(H2,21,23)/t16-/m1/s1
InChIKeyVURAXZAMAVXMOW-MRXNPFEDSA-N
XLogP3.48
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134363747) is (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is CC(C)[C@H]1CCc2c(-c3ccc(F)cc3F)cc(C(N)=O)nc2O1.
What is the InChIKey of (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is VURAXZAMAVXMOW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18F2N2O2/c1-9(2)16-6-5-12-13(11-4-3-10(19)7-14(11)20)8-15(17(21)23)22-18(12)24-16/h3-4,7-9,16H,5-6H2,1-2H3,(H2,21,23)/t16-/m1/s1.
What are the key properties of (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2,4-difluorophenyl)-2-propan-2-yl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134363747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).