4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid

C19H20ClN3O4 — CID 154740314

IUPAC4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NC(Cc2ccc(Cl)cc2)c2ccccn2)CCO1
InChIInChI=1S/C19H20ClN3O4/c20-14-6-4-13(5-7-14)11-16(15-3-1-2-8-21-15)22-19(26)23-9-10-27-17(12-23)18(24)25/h1-8,16-17H,9-12H2,(H,22,26)(H,24,25)
InChIKeyNIMOCMZZAIKWSI-UHFFFAOYSA-N
MW389.84 g/mol
LogP2.51
Rot. Bonds5

About 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid

4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid (PubChem CID 154740314) has the molecular formula C19H20ClN3O4 and a molecular weight of 389.84 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid
PubChem CID154740314
Molecular FormulaC19H20ClN3O4
Molecular Weight389.84 g/mol
Exact Mass389.11
IUPAC Name4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)NC(Cc2ccc(Cl)cc2)c2ccccn2)CCO1
InChIInChI=1S/C19H20ClN3O4/c20-14-6-4-13(5-7-14)11-16(15-3-1-2-8-21-15)22-19(26)23-9-10-27-17(12-23)18(24)25/h1-8,16-17H,9-12H2,(H,22,26)(H,24,25)
InChIKeyNIMOCMZZAIKWSI-UHFFFAOYSA-N
XLogP2.51
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.84
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid (CID 154740314) is 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)NC(Cc2ccc(Cl)cc2)c2ccccn2)CCO1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is NIMOCMZZAIKWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O4/c20-14-6-4-13(5-7-14)11-16(15-3-1-2-8-21-15)22-19(26)23-9-10-27-17(12-23)18(24)25/h1-8,16-17H,9-12H2,(H,22,26)(H,24,25).
What are the key properties of 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid?
4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid has a molecular weight of 389.84 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 154740314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).