[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone

C15H23N3O2 — CID 104960482

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H23N3O2/c1-4-6-17-14-5-7-16-8-13(14)15(19)18-9-11(2)20-12(3)10-18/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,17)/t11-,12+
InChIKeyUYGYMFALBVRMEO-TXEJJXNPSA-N
MW277.37 g/mol
LogP2.15
Rot. Bonds4

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

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone (PubChem CID 104960482) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
PubChem CID104960482
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
SMILESCCCNc1ccncc1C(=O)N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C15H23N3O2/c1-4-6-17-14-5-7-16-8-13(14)15(19)18-9-11(2)20-12(3)10-18/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,17)/t11-,12+
InChIKeyUYGYMFALBVRMEO-TXEJJXNPSA-N
XLogP2.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
(2-ethylmorpholin-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81242863
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
(3-ethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243378
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
(1,1-dioxo-1,4-thiazinan-4-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81243093
(3,5-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236821
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81240813
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133442800

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone (CID 104960482) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone is CCCNc1ccncc1C(=O)N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone?
The InChIKey is UYGYMFALBVRMEO-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-6-17-14-5-7-16-8-13(14)15(19)18-9-11(2)20-12(3)10-18/h5,7-8,11-12H,4,6,9-10H2,1-3H3,(H,16,17)/t11-,12+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone has a molecular weight of 277.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(propylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 104960482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).