[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone

C14H20ClN3O — CID 55042109

IUPAC[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCNc1ccc(Cl)c(C(=O)N2CCCC2CC)n1
InChIInChI=1S/C14H20ClN3O/c1-3-10-6-5-9-18(10)14(19)13-11(15)7-8-12(17-13)16-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeySKDHXQCSJQDJKQ-UHFFFAOYSA-N
MW281.79 g/mol
LogP3.18
Rot. Bonds4

About [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone

[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 55042109) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID55042109
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCNc1ccc(Cl)c(C(=O)N2CCCC2CC)n1
InChIInChI=1S/C14H20ClN3O/c1-3-10-6-5-9-18(10)14(19)13-11(15)7-8-12(17-13)16-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17)
InChIKeySKDHXQCSJQDJKQ-UHFFFAOYSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-6-hydrazinyl-2-pyridinyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62247878
[3-chloro-6-(methylamino)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62890107
[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546
[6-(ethylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 55042855
[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115967033
3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 62173834
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025
5-chloro-N-ethyl-6-[(2-ethylpiperidin-1-yl)methyl]pyridin-2-amine
CID 62891478
(2-chloro-5-hydroxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 106501379
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 62165385

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone (CID 55042109) is [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone is CCNc1ccc(Cl)c(C(=O)N2CCCC2CC)n1.
What is the InChIKey of [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is SKDHXQCSJQDJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-3-10-6-5-9-18(10)14(19)13-11(15)7-8-12(17-13)16-4-2/h7-8,10H,3-6,9H2,1-2H3,(H,16,17).
What are the key properties of [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone?
[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 281.79 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55042109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).