2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate

C12H16ClN3O3 — CID 71816676

IUPAC2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate
SMILESO=C(Nc1ccnc(Cl)c1)OCCN1CCOCC1
InChIInChI=1S/C12H16ClN3O3/c13-11-9-10(1-2-14-11)15-12(17)19-8-5-16-3-6-18-7-4-16/h1-2,9H,3-8H2,(H,14,15,17)
InChIKeyHUEKDASCTSZWES-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.62
Rot. Bonds4

About 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate

2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate (PubChem CID 71816676) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate
PubChem CID71816676
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate
SMILESO=C(Nc1ccnc(Cl)c1)OCCN1CCOCC1
InChIInChI=1S/C12H16ClN3O3/c13-11-9-10(1-2-14-11)15-12(17)19-8-5-16-3-6-18-7-4-16/h1-2,9H,3-8H2,(H,14,15,17)
InChIKeyHUEKDASCTSZWES-UHFFFAOYSA-N
XLogP1.62
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate?
The IUPAC name of 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate (CID 71816676) is 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate.
What is the SMILES notation for 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate?
The canonical SMILES for 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate is O=C(Nc1ccnc(Cl)c1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate?
The InChIKey is HUEKDASCTSZWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c13-11-9-10(1-2-14-11)15-12(17)19-8-5-16-3-6-18-7-4-16/h1-2,9H,3-8H2,(H,14,15,17).
What are the key properties of 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate?
2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate has a molecular weight of 285.73 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate is sourced from PubChem (CID 71816676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).