2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

C14H20ClN3O2 — CID 115775201

IUPAC2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC(CCO)C1)c1ccc(Cl)cn1
InChIInChI=1S/C14H20ClN3O2/c1-17(13-3-2-12(15)8-16-13)10-14(20)18-6-4-11(9-18)5-7-19/h2-3,8,11,19H,4-7,9-10H2,1H3
InChIKeyPFVIRKVGSKZHDU-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.40
Rot. Bonds5

About 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone

2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (PubChem CID 115775201) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
PubChem CID115775201
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCC(CCO)C1)c1ccc(Cl)cn1
InChIInChI=1S/C14H20ClN3O2/c1-17(13-3-2-12(15)8-16-13)10-14(20)18-6-4-11(9-18)5-7-19/h2-3,8,11,19H,4-7,9-10H2,1H3
InChIKeyPFVIRKVGSKZHDU-UHFFFAOYSA-N
XLogP1.40
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 43589524
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114679848
1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720121
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]ethanone
CID 95736584
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 56812391
4-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]piperazin-2-one
CID 47367116
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]ethanone
CID 95350952
2-(4-chlorophenyl)sulfanyl-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775210
2-[(5-chloro-2-pyridinyl)-methylamino]-1-(1,2-oxazolidin-2-yl)ethanone
CID 113375668
methyl 1-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]pyrrolidine-2-carboxylate
CID 43623806
3-[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]-1,3-thiazolidine-4-carboxylic acid
CID 43359399
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95315279

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone (CID 115775201) is 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is CN(CC(=O)N1CCC(CCO)C1)c1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is PFVIRKVGSKZHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-17(13-3-2-12(15)8-16-13)10-14(20)18-6-4-11(9-18)5-7-19/h2-3,8,11,19H,4-7,9-10H2,1H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone?
2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 297.79 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)-methylamino]-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115775201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).