(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide

C20H23N3O4 — CID 125021701

IUPAC(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
SMILESCOc1ccccc1Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cn1
InChIInChI=1S/C20H23N3O4/c1-20(19(21)25)13-23(9-10-27-20)18(24)15-7-8-16(22-12-15)11-14-5-3-4-6-17(14)26-2/h3-8,12H,9-11,13H2,1-2H3,(H2,21,25)/t20-/m1/s1
InChIKeyYLSMGZCJSJCWJB-HXUWFJFHSA-N
MW369.42 g/mol
LogP1.40
Rot. Bonds5

About (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide

(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide (PubChem CID 125021701) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
PubChem CID125021701
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
SMILESCOc1ccccc1Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cn1
InChIInChI=1S/C20H23N3O4/c1-20(19(21)25)13-23(9-10-27-20)18(24)15-7-8-16(22-12-15)11-14-5-3-4-6-17(14)26-2/h3-8,12H,9-11,13H2,1-2H3,(H2,21,25)/t20-/m1/s1
InChIKeyYLSMGZCJSJCWJB-HXUWFJFHSA-N
XLogP1.40
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide?
The IUPAC name of (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide (CID 125021701) is (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide is COc1ccccc1Cc1ccc(C(=O)N2CCO[C@@](C)(C(N)=O)C2)cn1.
What is the InChIKey of (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide?
The InChIKey is YLSMGZCJSJCWJB-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-20(19(21)25)13-23(9-10-27-20)18(24)15-7-8-16(22-12-15)11-14-5-3-4-6-17(14)26-2/h3-8,12H,9-11,13H2,1-2H3,(H2,21,25)/t20-/m1/s1.
What are the key properties of (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide?
(2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[6-[(2-methoxyphenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide is sourced from PubChem (CID 125021701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).