(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone

C14H21N3O — CID 105071029

IUPAC(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
SMILESCCC1CCC(C)N1C(=O)c1ccncc1NC
InChIInChI=1S/C14H21N3O/c1-4-11-6-5-10(2)17(11)14(18)12-7-8-16-9-13(12)15-3/h7-11,15H,4-6H2,1-3H3
InChIKeySFKMYQMQGONALL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.53
Rot. Bonds3

About (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone

(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone (PubChem CID 105071029) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
PubChem CID105071029
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
SMILESCCC1CCC(C)N1C(=O)c1ccncc1NC
InChIInChI=1S/C14H21N3O/c1-4-11-6-5-10(2)17(11)14(18)12-7-8-16-9-13(12)15-3/h7-11,15H,4-6H2,1-3H3
InChIKeySFKMYQMQGONALL-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone (CID 105071029) is (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone is CCC1CCC(C)N1C(=O)c1ccncc1NC.
What is the InChIKey of (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The InChIKey is SFKMYQMQGONALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-4-11-6-5-10(2)17(11)14(18)12-7-8-16-9-13(12)15-3/h7-11,15H,4-6H2,1-3H3.
What are the key properties of (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone has a molecular weight of 247.34 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105071029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).