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

C13H19N3O — CID 62180267

IUPAC[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCC(C)C2)cn1
InChIInChI=1S/C13H19N3O/c1-3-14-12-5-4-11(8-15-12)13(17)16-7-6-10(2)9-16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15)
InChIKeyDQTUHEWUWUGYAG-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.00
Rot. Bonds3

About [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone

[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 62180267) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID62180267
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCCNc1ccc(C(=O)N2CCC(C)C2)cn1
InChIInChI=1S/C13H19N3O/c1-3-14-12-5-4-11(8-15-12)13(17)16-7-6-10(2)9-16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15)
InChIKeyDQTUHEWUWUGYAG-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648
(6-hydrazinyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62237527
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 104960451
[6-(3-methoxypropylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 146153252
[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 62176965
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
[6-[(1-hydroxycyclobutyl)methylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133329812
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366494
[6-[(2,2-diethyl-4-hydroxybutyl)amino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 111515872
[6-[2-(2-methyl-1,3-dioxolan-2-yl)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133459128

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone (CID 62180267) is [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is CCNc1ccc(C(=O)N2CCC(C)C2)cn1.
What is the InChIKey of [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is DQTUHEWUWUGYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-14-12-5-4-11(8-15-12)13(17)16-7-6-10(2)9-16/h4-5,8,10H,3,6-7,9H2,1-2H3,(H,14,15).
What are the key properties of [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone?
[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 62180267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).