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

C14H20ClN3O2 — CID 115967033

IUPAC[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccc(Cl)c(C(=O)N2CCC(C(C)O)C2)n1
InChIInChI=1S/C14H20ClN3O2/c1-3-16-12-5-4-11(15)13(17-12)14(20)18-7-6-10(8-18)9(2)19/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyVLHHEWRVFXBAOY-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.01
Rot. Bonds4

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

[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 115967033) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID115967033
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCCNc1ccc(Cl)c(C(=O)N2CCC(C(C)O)C2)n1
InChIInChI=1S/C14H20ClN3O2/c1-3-16-12-5-4-11(15)13(17-12)14(20)18-7-6-10(8-18)9(2)19/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyVLHHEWRVFXBAOY-UHFFFAOYSA-N
XLogP2.01
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-chloro-6-(ethylamino)-2-pyridinyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 62186546
[6-(ethylamino)-3-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112628648
(3,6-dichloro-2-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 103677851
[3-chloro-6-(ethylamino)-2-pyridinyl]-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 63615127
[3-chloro-6-(propylamino)-2-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
CID 62165385
[3-chloro-6-(ethylamino)-2-pyridinyl]-(2-ethylpyrrolidin-1-yl)methanone
CID 55042109
(2-chloro-5-sulfanylphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 107034172
3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 62173834
[2-(ethylamino)-3-fluoro-4-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 105387219
3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355
(5-ethylthiophen-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627456
[3-chloro-6-(methylamino)-2-pyridinyl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102964681

Frequently Asked Questions

What is the IUPAC name of [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 115967033) is [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CCNc1ccc(Cl)c(C(=O)N2CCC(C(C)O)C2)n1.
What is the InChIKey of [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is VLHHEWRVFXBAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-3-16-12-5-4-11(15)13(17-12)14(20)18-7-6-10(8-18)9(2)19/h4-5,9-10,19H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
[3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 297.79 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-6-(ethylamino)-2-pyridinyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115967033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).