N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide

C13H17Cl2N3O2 — CID 115966875

IUPACN-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCC(O)C1CCN(CC(=O)Nc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N3O2/c1-8(19)9-2-3-18(6-9)7-12(20)17-13-11(15)4-10(14)5-16-13/h4-5,8-9,19H,2-3,6-7H2,1H3,(H,16,17,20)
InChIKeyGANOZCUQARNFHB-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.03
Rot. Bonds4

About N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide

N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide (PubChem CID 115966875) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
PubChem CID115966875
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC NameN-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESCC(O)C1CCN(CC(=O)Nc2ncc(Cl)cc2Cl)C1
InChIInChI=1S/C13H17Cl2N3O2/c1-8(19)9-2-3-18(6-9)7-12(20)17-13-11(15)4-10(14)5-16-13/h4-5,8-9,19H,2-3,6-7H2,1H3,(H,16,17,20)
InChIKeyGANOZCUQARNFHB-UHFFFAOYSA-N
XLogP2.03
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-2-pyridinyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8538810
2-(azepan-1-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8538814
N-(3,5-dichloro-2-pyridinyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81219701
ethyl 4-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]piperazine-1-carboxylate
CID 8538802
N-(3,5-dichloro-2-pyridinyl)-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8616226
2-[1-[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617732
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 8693382
N-(4-chloro-2-nitrophenyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019799
2-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 102682516
N-(3,5-dichloro-2-pyridinyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 115316860
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110019824
N-(3,5-dichloro-2-pyridinyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755103

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide (CID 115966875) is N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide is CC(O)C1CCN(CC(=O)Nc2ncc(Cl)cc2Cl)C1.
What is the InChIKey of N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is GANOZCUQARNFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-8(19)9-2-3-18(6-9)7-12(20)17-13-11(15)4-10(14)5-16-13/h4-5,8-9,19H,2-3,6-7H2,1H3,(H,16,17,20).
What are the key properties of N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide?
N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 318.20 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-2-pyridinyl)-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 115966875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).