(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone

C13H19N3O — CID 105067784

IUPAC(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
SMILESCCC1CCCN1C(=O)c1ccncc1NC
InChIInChI=1S/C13H19N3O/c1-3-10-5-4-8-16(10)13(17)11-6-7-15-9-12(11)14-2/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyYGNBYLWXYQQUNF-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds3

About (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone

(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone (PubChem CID 105067784) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
PubChem CID105067784
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
SMILESCCC1CCCN1C(=O)c1ccncc1NC
InChIInChI=1S/C13H19N3O/c1-3-10-5-4-8-16(10)13(17)11-6-7-15-9-12(11)14-2/h6-7,9-10,14H,3-5,8H2,1-2H3
InChIKeyYGNBYLWXYQQUNF-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylazepan-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071156
[2-(hydroxymethyl)azepan-1-yl]-[3-(methylamino)-4-pyridinyl]methanone
CID 105071412
(2-ethyl-5-methylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105071029
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[3-(ethylamino)-4-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 105071000
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766
3-(methylamino)-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-4-carboxamide
CID 114138605
(3-aminothieno[2,3-c]pyridin-2-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 114289208
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070449
(4-ethoxypiperidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105068895
[2-(hydroxymethyl)pyrrolidin-1-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81443421

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone (CID 105067784) is (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone is CCC1CCCN1C(=O)c1ccncc1NC.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
The InChIKey is YGNBYLWXYQQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-10-5-4-8-16(10)13(17)11-6-7-15-9-12(11)14-2/h6-7,9-10,14H,3-5,8H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone?
(2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone has a molecular weight of 233.31 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone is sourced from PubChem (CID 105067784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).