[5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone

C15H22ClN3O2 — CID 62169217

IUPAC[5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCCCNc1ncc(C(=O)N2CC(C)OCC2C)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-4-5-17-14-13(16)6-12(7-18-14)15(20)19-8-11(3)21-9-10(19)2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyZJANYVDYYFFYHR-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.81
Rot. Bonds4

About [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone

[5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone (PubChem CID 62169217) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
PubChem CID62169217
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
SMILESCCCNc1ncc(C(=O)N2CC(C)OCC2C)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-4-5-17-14-13(16)6-12(7-18-14)15(20)19-8-11(3)21-9-10(19)2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18)
InChIKeyZJANYVDYYFFYHR-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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Related Compounds

(5,6-dichloro-3-pyridinyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 43421024
[5-chloro-6-(propylamino)-3-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 62187046
3,5-dichloro-6-(2,5-dimethylmorpholin-4-yl)-N-propylpyridin-2-amine
CID 102756113
(2,5-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 55047019
[5-chloro-2-(ethylamino)-4-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 114922288
5-chloro-N-cyclobutyl-6-(propylamino)pyridine-3-carboxamide
CID 62414075
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
(3-chloro-4-iodophenyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 103734967
[(2S,5S)-2,5-dimethylmorpholin-4-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 95124200
5-chloro-N-cyclopropyl-N-ethyl-6-(propylamino)pyridine-3-carboxamide
CID 62169292
[5-chloro-6-(ethylamino)-3-pyridinyl]-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 104968832
N-tert-butyl-5-chloro-6-(propylamino)pyridine-3-carboxamide
CID 62171459

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone (CID 62169217) is [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone is CCCNc1ncc(C(=O)N2CC(C)OCC2C)cc1Cl.
What is the InChIKey of [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is ZJANYVDYYFFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-4-5-17-14-13(16)6-12(7-18-14)15(20)19-8-11(3)21-9-10(19)2/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,17,18).
What are the key properties of [5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone?
[5-chloro-6-(propylamino)-3-pyridinyl]-(2,5-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-6-(propylamino)-3-pyridinyl]-(2,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 62169217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).