[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

C16H25N3O — CID 63162177

IUPAC[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCNc1ncccc1C(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C16H25N3O/c1-4-16(3)8-11-19(12-9-16)15(20)13-7-6-10-18-14(13)17-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,17,18)
InChIKeyQAPMXRLIFLEPIH-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.17
Rot. Bonds4

About [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone

[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 63162177) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID63162177
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCNc1ncccc1C(=O)N1CCC(C)(CC)CC1
InChIInChI=1S/C16H25N3O/c1-4-16(3)8-11-19(12-9-16)15(20)13-7-6-10-18-14(13)17-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,17,18)
InChIKeyQAPMXRLIFLEPIH-UHFFFAOYSA-N
XLogP3.17
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(ethylamino)-3-pyridinyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 62187064
(4-tert-butylpiperidin-1-yl)-[2-(ethylamino)-3-pyridinyl]methanone
CID 62181639
[2-(ethylamino)-3-fluorophenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63162009
(4-ethyl-4-methylpiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 55139224
[2-(ethylamino)-3-pyridinyl]-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370320
[2-(ethylamino)-3-pyridinyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112628604
[2-(ethylamino)-3-pyridinyl]-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 63605493
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[2-(ethylamino)-3-pyridinyl]methanone
CID 62171688
[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133496686
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-propylacetamide
CID 133383039
2-(ethylamino)-N-(1-ethylcyclobutyl)pyridine-3-carboxamide
CID 113489132
(4,4-dimethylazepan-1-yl)-[2-(ethylamino)-3-fluoro-4-pyridinyl]methanone
CID 105386660

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 63162177) is [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCNc1ncccc1C(=O)N1CCC(C)(CC)CC1.
What is the InChIKey of [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is QAPMXRLIFLEPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-16(3)8-11-19(12-9-16)15(20)13-7-6-10-18-14(13)17-5-2/h6-7,10H,4-5,8-9,11-12H2,1-3H3,(H,17,18).
What are the key properties of [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
[2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-3-pyridinyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63162177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).