[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone

C15H20ClN3O3 — CID 71937327

IUPAC[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCC2CCCO2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H20ClN3O3/c16-13-8-11(15(20)19-3-6-21-7-4-19)9-17-14(13)18-10-12-2-1-5-22-12/h8-9,12H,1-7,10H2,(H,17,18)
InChIKeyURFKFKJEBCLJOZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.80
Rot. Bonds4

About [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone

[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 71937327) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
PubChem CID71937327
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(NCC2CCCO2)c(Cl)c1)N1CCOCC1
InChIInChI=1S/C15H20ClN3O3/c16-13-8-11(15(20)19-3-6-21-7-4-19)9-17-14(13)18-10-12-2-1-5-22-12/h8-9,12H,1-7,10H2,(H,17,18)
InChIKeyURFKFKJEBCLJOZ-UHFFFAOYSA-N
XLogP1.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone (CID 71937327) is [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cnc(NCC2CCCO2)c(Cl)c1)N1CCOCC1.
What is the InChIKey of [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is URFKFKJEBCLJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c16-13-8-11(15(20)19-3-6-21-7-4-19)9-17-14(13)18-10-12-2-1-5-22-12/h8-9,12H,1-7,10H2,(H,17,18).
What are the key properties of [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone?
[5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 325.80 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(oxolan-2-ylmethylamino)-3-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71937327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).