[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone

C15H22ClN3O2 — CID 114922944

IUPAC[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCCCNc1cc(C(=O)N2CCOCC2(C)C)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O2/c1-4-5-17-13-8-11(12(16)9-18-13)14(20)19-6-7-21-10-15(19,2)3/h8-9H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyLYFIBBMMLQQOPE-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.81
Rot. Bonds4

About [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone

[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone (PubChem CID 114922944) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
PubChem CID114922944
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone
SMILESCCCNc1cc(C(=O)N2CCOCC2(C)C)c(Cl)cn1
InChIInChI=1S/C15H22ClN3O2/c1-4-5-17-13-8-11(12(16)9-18-13)14(20)19-6-7-21-10-15(19,2)3/h8-9H,4-7,10H2,1-3H3,(H,17,18)
InChIKeyLYFIBBMMLQQOPE-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone (CID 114922944) is [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone is CCCNc1cc(C(=O)N2CCOCC2(C)C)c(Cl)cn1.
What is the InChIKey of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone?
The InChIKey is LYFIBBMMLQQOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-4-5-17-13-8-11(12(16)9-18-13)14(20)19-6-7-21-10-15(19,2)3/h8-9H,4-7,10H2,1-3H3,(H,17,18).
What are the key properties of [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone?
[5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone has a molecular weight of 311.81 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(propylamino)-4-pyridinyl]-(3,3-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 114922944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).