(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide

C18H18FN3O3 — CID 97457559

IUPAC(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN3O3/c1-11-4-3-5-14(20-11)21-18(24)17-16(22(2)15(23)10-25-17)12-6-8-13(19)9-7-12/h3-9,16-17H,10H2,1-2H3,(H,20,21,24)/t16-,17-/m0/s1
InChIKeyZDQRIWJJMHKVRV-IRXDYDNUSA-N
MW343.36 g/mol
LogP2.07
Rot. Bonds3

About (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide

(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide (PubChem CID 97457559) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
PubChem CID97457559
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)n1
InChIInChI=1S/C18H18FN3O3/c1-11-4-3-5-14(20-11)21-18(24)17-16(22(2)15(23)10-25-17)12-6-8-13(19)9-7-12/h3-9,16-17H,10H2,1-2H3,(H,20,21,24)/t16-,17-/m0/s1
InChIKeyZDQRIWJJMHKVRV-IRXDYDNUSA-N
XLogP2.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide?
The IUPAC name of (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide (CID 97457559) is (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide.
What is the SMILES notation for (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide?
The canonical SMILES for (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide is Cc1cccc(NC(=O)[C@H]2OCC(=O)N(C)[C@H]2c2ccc(F)cc2)n1.
What is the InChIKey of (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide?
The InChIKey is ZDQRIWJJMHKVRV-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-11-4-3-5-14(20-11)21-18(24)17-16(22(2)15(23)10-25-17)12-6-8-13(19)9-7-12/h3-9,16-17H,10H2,1-2H3,(H,20,21,24)/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide?
(2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(4-fluorophenyl)-4-methyl-N-(6-methyl-2-pyridinyl)-5-oxomorpholine-2-carboxamide is sourced from PubChem (CID 97457559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).