(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

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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).