N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide

C17H16ClN5O — CID 136562069

IUPACN-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(c3cnccn3)C2)cc1Cl
InChIInChI=1S/C17H16ClN5O/c18-15-7-14(2-1-12(15)8-19)22-17(24)11-23-6-3-13(10-23)16-9-20-4-5-21-16/h1-2,4-5,7,9,13H,3,6,10-11H2,(H,22,24)
InChIKeyROQWLTKUJJPOGR-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.43
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide

N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide (PubChem CID 136562069) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide
PubChem CID136562069
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide
SMILESN#Cc1ccc(NC(=O)CN2CCC(c3cnccn3)C2)cc1Cl
InChIInChI=1S/C17H16ClN5O/c18-15-7-14(2-1-12(15)8-19)22-17(24)11-23-6-3-13(10-23)16-9-20-4-5-21-16/h1-2,4-5,7,9,13H,3,6,10-11H2,(H,22,24)
InChIKeyROQWLTKUJJPOGR-UHFFFAOYSA-N
XLogP2.43
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60966755
N-(3-chloro-4-cyanophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62372959
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
N-(3-chloro-4-cyanophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8541968
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 2117238
N-(3-chloro-4-cyanophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5043291
2-[2-(aminomethyl)morpholin-4-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 114398812
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-(3-chloro-4-cyanophenyl)acetamide
CID 9377990
N-(3-chloro-4-cyanophenyl)-2-[3-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 138994359
N-(3-chloro-4-cyanophenyl)-2-(cyclooctylamino)acetamide
CID 9265066
ethyl (3S)-1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8014435

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide (CID 136562069) is N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide is N#Cc1ccc(NC(=O)CN2CCC(c3cnccn3)C2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide?
The InChIKey is ROQWLTKUJJPOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-15-7-14(2-1-12(15)8-19)22-17(24)11-23-6-3-13(10-23)16-9-20-4-5-21-16/h1-2,4-5,7,9,13H,3,6,10-11H2,(H,22,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide?
N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(3-pyrazin-2-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 136562069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).