[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone

C13H19N3O — CID 81234090

IUPAC[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCCNc1ccncc1C(=O)N1CCCC1C
InChIInChI=1S/C13H19N3O/c1-3-15-12-6-7-14-9-11(12)13(17)16-8-4-5-10(16)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyKQAOLLJHYHSYIO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds3

About [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone

[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 81234090) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID81234090
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCCNc1ccncc1C(=O)N1CCCC1C
InChIInChI=1S/C13H19N3O/c1-3-15-12-6-7-14-9-11(12)13(17)16-8-4-5-10(16)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15)
InChIKeyKQAOLLJHYHSYIO-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-methylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81245049
(2,6-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236942
[4-(ethylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 81236620
[2-(ethylamino)-5-methylphenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 62510499
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
(3,5-dimethylpiperidin-1-yl)-[4-(ethylamino)-3-pyridinyl]methanone
CID 81236821
[4-(ethylamino)-3-pyridinyl]-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 81241066
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070449
(2,5-dimethylpiperidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070518
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729
[4-(ethylamino)-3-pyridinyl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 81240012
(2-ethylazepan-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 104691766

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone (CID 81234090) is [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone is CCNc1ccncc1C(=O)N1CCCC1C.
What is the InChIKey of [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is KQAOLLJHYHSYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-15-12-6-7-14-9-11(12)13(17)16-8-4-5-10(16)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,14,15).
What are the key properties of [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone?
[4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)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 [4-(ethylamino)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 81234090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).