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

C14H21N3O2 — CID 112628648

IUPAC[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccc(C(=O)N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C14H21N3O2/c1-3-15-13-5-4-11(8-16-13)14(19)17-7-6-12(9-17)10(2)18/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyOFDGEDHAKZXWOI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.36
Rot. Bonds4

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

[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112628648) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112628648
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccc(C(=O)N2CCC(C(C)O)C2)cn1
InChIInChI=1S/C14H21N3O2/c1-3-15-13-5-4-11(8-16-13)14(19)17-7-6-12(9-17)10(2)18/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3,(H,15,16)
InChIKeyOFDGEDHAKZXWOI-UHFFFAOYSA-N
XLogP1.36
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(ethylamino)-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone
CID 62180267
[6-(dimethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627239
[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115967033
(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
[4-(cyclopropylmethyl)piperazin-1-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 62176965
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376688
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023380
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 112625849

Frequently Asked Questions

What is the IUPAC name of [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112628648) is [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CCNc1ccc(C(=O)N2CCC(C(C)O)C2)cn1.
What is the InChIKey of [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OFDGEDHAKZXWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-15-13-5-4-11(8-16-13)14(19)17-7-6-12(9-17)10(2)18/h4-5,8,10,12,18H,3,6-7,9H2,1-2H3,(H,15,16).
What are the key properties of [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112628648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).