[2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

C16H25N3O2 — CID 114799911

IUPAC[2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1cc(C(=O)N2CCC(CCO)C2)cc(CC)n1
InChIInChI=1S/C16H25N3O2/c1-3-14-9-13(10-15(18-14)17-4-2)16(21)19-7-5-12(11-19)6-8-20/h9-10,12,20H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyNOKBLNLTPAOBEA-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.92
Rot. Bonds6

About [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone

[2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 114799911) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID114799911
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name[2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1cc(C(=O)N2CCC(CCO)C2)cc(CC)n1
InChIInChI=1S/C16H25N3O2/c1-3-14-9-13(10-15(18-14)17-4-2)16(21)19-7-5-12(11-19)6-8-20/h9-10,12,20H,3-8,11H2,1-2H3,(H,17,18)
InChIKeyNOKBLNLTPAOBEA-UHFFFAOYSA-N
XLogP1.92
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-hydrazinyl-6-methyl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799971
(2-amino-6-propan-2-yl-4-pyridinyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114799910
[2-(ethylamino)-6-methyl-4-pyridinyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114681687
[6-(ethylamino)-2-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228661
[4-amino-2-(ethylamino)-1,3-thiazol-5-yl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114802978
(4-amino-3,5-dichlorophenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115869589
[4-(ethylamino)-3,5-difluorophenyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 115967024
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228721
(3,5-dibromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 103909359
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-iodothiophen-3-yl)methanone
CID 115746358
(5-ethylthiophen-2-yl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 113340498
6-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 114799248

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 114799911) is [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is CCNc1cc(C(=O)N2CCC(CCO)C2)cc(CC)n1.
What is the InChIKey of [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NOKBLNLTPAOBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-14-9-13(10-15(18-14)17-4-2)16(21)19-7-5-12(11-19)6-8-20/h9-10,12,20H,3-8,11H2,1-2H3,(H,17,18).
What are the key properties of [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone?
[2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 291.40 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-(ethylamino)-4-pyridinyl]-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 114799911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).