(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone

C14H21N3O — CID 105070704

IUPAC(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cnccc1C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C14H21N3O/c1-4-16-12-9-15-7-5-11(12)13(18)17-8-6-14(2,3)10-17/h5,7,9,16H,4,6,8,10H2,1-3H3
InChIKeyDYBBIRUNIUAKKS-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.39
Rot. Bonds3

About (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone

(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone (PubChem CID 105070704) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
PubChem CID105070704
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
SMILESCCNc1cnccc1C(=O)N1CCC(C)(C)C1
InChIInChI=1S/C14H21N3O/c1-4-16-12-9-15-7-5-11(12)13(18)17-8-6-14(2,3)10-17/h5,7,9,16H,4,6,8,10H2,1-3H3
InChIKeyDYBBIRUNIUAKKS-UHFFFAOYSA-N
XLogP2.39
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone with MolForge

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Related Compounds

[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
(3,3-diethylpyrrolidin-1-yl)-(3-hydrazinyl-4-pyridinyl)methanone
CID 105072328
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
(4,4-dimethylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81240564
4-[3-(ethylamino)pyridine-4-carbonyl]-1,3,3-trimethylpiperazin-2-one
CID 105070728
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105069994
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 103358219
4-[3-(ethylamino)pyridine-4-carbonyl]-3,3-dimethylpiperazine-2,6-dione
CID 105070552
[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 105071079
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone?
The IUPAC name of (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone (CID 105070704) is (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone?
The canonical SMILES for (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone is CCNc1cnccc1C(=O)N1CCC(C)(C)C1.
What is the InChIKey of (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone?
The InChIKey is DYBBIRUNIUAKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-16-12-9-15-7-5-11(12)13(18)17-8-6-14(2,3)10-17/h5,7,9,16H,4,6,8,10H2,1-3H3.
What are the key properties of (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone?
(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105070704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).