(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

C18H19FN2O3 — CID 134396409

IUPAC(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)nc3c2C[C@H](C)[C@H](CO)O3)c(F)c1
InChIInChI=1S/C18H19FN2O3/c1-9-3-4-11(14(19)5-9)12-7-15(17(20)23)21-18-13(12)6-10(2)16(8-22)24-18/h3-5,7,10,16,22H,6,8H2,1-2H3,(H2,20,23)/t10-,16-/m0/s1
InChIKeyQJJXNBYAUZPJPV-QFYYESIMSA-N
MW330.36 g/mol
LogP2.23
Rot. Bonds3

About (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide

(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (PubChem CID 134396409) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
PubChem CID134396409
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide
SMILESCc1ccc(-c2cc(C(N)=O)nc3c2C[C@H](C)[C@H](CO)O3)c(F)c1
InChIInChI=1S/C18H19FN2O3/c1-9-3-4-11(14(19)5-9)12-7-15(17(20)23)21-18-13(12)6-10(2)16(8-22)24-18/h3-5,7,10,16,22H,6,8H2,1-2H3,(H2,20,23)/t10-,16-/m0/s1
InChIKeyQJJXNBYAUZPJPV-QFYYESIMSA-N
XLogP2.23
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The IUPAC name of (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide (CID 134396409) is (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide.
What is the SMILES notation for (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The canonical SMILES for (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is Cc1ccc(-c2cc(C(N)=O)nc3c2C[C@H](C)[C@H](CO)O3)c(F)c1.
What is the InChIKey of (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
The InChIKey is QJJXNBYAUZPJPV-QFYYESIMSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-9-3-4-11(14(19)5-9)12-7-15(17(20)23)21-18-13(12)6-10(2)16(8-22)24-18/h3-5,7,10,16,22H,6,8H2,1-2H3,(H2,20,23)/t10-,16-/m0/s1.
What are the key properties of (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide?
(2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5-(2-fluoro-4-methylphenyl)-2-(hydroxymethyl)-3-methyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine-7-carboxamide is sourced from PubChem (CID 134396409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).