(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

C22H27N3O3 — CID 92553097

IUPAC(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C(C)C)CCO1
InChIInChI=1S/C22H27N3O3/c1-16(2)20(26)25-11-12-28-22(15-25,21(27)23-3)14-17-5-4-6-19(13-17)18-7-9-24-10-8-18/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,27)/t22-/m1/s1
InChIKeyVENZAIDSQMYWKS-JOCHJYFZSA-N
MW381.48 g/mol
LogP2.29
Rot. Bonds5

About (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide

(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (PubChem CID 92553097) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
PubChem CID92553097
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide
SMILESCNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C(C)C)CCO1
InChIInChI=1S/C22H27N3O3/c1-16(2)20(26)25-11-12-28-22(15-25,21(27)23-3)14-17-5-4-6-19(13-17)18-7-9-24-10-8-18/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,27)/t22-/m1/s1
InChIKeyVENZAIDSQMYWKS-JOCHJYFZSA-N
XLogP2.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide (CID 92553097) is (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is CNC(=O)[C@@]1(Cc2cccc(-c3ccncc3)c2)CN(C(=O)C(C)C)CCO1.
What is the InChIKey of (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
The InChIKey is VENZAIDSQMYWKS-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)20(26)25-11-12-28-22(15-25,21(27)23-3)14-17-5-4-6-19(13-17)18-7-9-24-10-8-18/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,23,27)/t22-/m1/s1.
What are the key properties of (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide?
(2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-4-(2-methylpropanoyl)-2-[(3-pyridin-4-ylphenyl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 92553097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).