[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone

C16H25N3O2 — CID 81238498

IUPAC[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cnc(C)cc2NC)C1
InChIInChI=1S/C16H25N3O2/c1-4-8-21-13-6-5-7-19(11-13)16(20)14-10-18-12(2)9-15(14)17-3/h9-10,13H,4-8,11H2,1-3H3,(H,17,18)
InChIKeyCVGFWPOLWSUHLG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.46
Rot. Bonds5

About [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone

[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone (PubChem CID 81238498) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
PubChem CID81238498
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
SMILESCCCOC1CCCN(C(=O)c2cnc(C)cc2NC)C1
InChIInChI=1S/C16H25N3O2/c1-4-8-21-13-6-5-7-19(11-13)16(20)14-10-18-12(2)9-15(14)17-3/h9-10,13H,4-8,11H2,1-3H3,(H,17,18)
InChIKeyCVGFWPOLWSUHLG-UHFFFAOYSA-N
XLogP2.46
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-chloro-2-(methylamino)-4-pyridinyl]-(3-propoxypiperidin-1-yl)methanone
CID 114923201
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylazepan-1-yl)methanone
CID 81235678
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-[6-methyl-4-(methylamino)-3-pyridinyl]methanone
CID 81238240
(2-methyl-5-sulfanylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 107026150
[6-methyl-4-(methylamino)-3-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 81241168
[4-(ethylamino)-6-methyl-3-pyridinyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103538368
(2-fluoro-5-methylphenyl)-(3-propoxypiperidin-1-yl)methanone
CID 62512361
[6-methyl-4-(methylamino)-3-pyridinyl]-(4-propylpiperazin-1-yl)methanone
CID 81236525
5-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-pyrazin-2-one
CID 99983565
(4-chloro-6-methyl-3-pyridinyl)-(3-methoxypiperidin-1-yl)methanone
CID 103878889
(3-fluoro-2-hydrazinyl-4-pyridinyl)-(3-propoxypiperidin-1-yl)methanone
CID 105388188
(3,5-diaminophenyl)-(3-propoxypiperidin-1-yl)methanone
CID 61168973

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone?
The IUPAC name of [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone (CID 81238498) is [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone.
What is the SMILES notation for [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone?
The canonical SMILES for [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone is CCCOC1CCCN(C(=O)c2cnc(C)cc2NC)C1.
What is the InChIKey of [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone?
The InChIKey is CVGFWPOLWSUHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-4-8-21-13-6-5-7-19(11-13)16(20)14-10-18-12(2)9-15(14)17-3/h9-10,13H,4-8,11H2,1-3H3,(H,17,18).
What are the key properties of [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone?
[6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(methylamino)-3-pyridinyl]-(3-propoxypiperidin-1-yl)methanone is sourced from PubChem (CID 81238498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).