N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide

C19H23ClN4O — CID 118773901

IUPACN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide
SMILESO=C(CCc1cnccn1)NCC(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H23ClN4O/c20-16-5-3-15(4-6-16)18(24-11-1-2-12-24)14-23-19(25)8-7-17-13-21-9-10-22-17/h3-6,9-10,13,18H,1-2,7-8,11-12,14H2,(H,23,25)
InChIKeyWHXPFFRAUHXSLA-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.02
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide

N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide (PubChem CID 118773901) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide
PubChem CID118773901
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide
SMILESO=C(CCc1cnccn1)NCC(c1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C19H23ClN4O/c20-16-5-3-15(4-6-16)18(24-11-1-2-12-24)14-23-19(25)8-7-17-13-21-9-10-22-17/h3-6,9-10,13,18H,1-2,7-8,11-12,14H2,(H,23,25)
InChIKeyWHXPFFRAUHXSLA-UHFFFAOYSA-N
XLogP3.02
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-piperidin-1-ylpropanamide
CID 125158955
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 125169295
N-[(2S)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-morpholin-4-ylpropanamide
CID 125157433
N-[(2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(tetrazol-1-yl)propanamide
CID 125445949
3-(4-chlorophenyl)-3-phenyl-N-(2-pyrazin-2-ylethyl)propanamide
CID 45195362
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 40985997
N-[(2R)-2-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]butanamide
CID 35180484
N-[2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-2-(dimethylcarbamoylamino)acetamide
CID 118768790
N'-(2-pyridin-3-yl-2-pyrrolidin-1-ylethyl)pentanediamide
CID 166227053
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 24544204
(2R)-2-(4-fluorophenyl)-2-piperidin-1-yl-N-(2-pyrazin-2-ylethyl)acetamide
CID 125166147
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide (CID 118773901) is N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide is O=C(CCc1cnccn1)NCC(c1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide?
The InChIKey is WHXPFFRAUHXSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c20-16-5-3-15(4-6-16)18(24-11-1-2-12-24)14-23-19(25)8-7-17-13-21-9-10-22-17/h3-6,9-10,13,18H,1-2,7-8,11-12,14H2,(H,23,25).
What are the key properties of N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide?
N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide has a molecular weight of 358.87 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-pyrazin-2-ylpropanamide is sourced from PubChem (CID 118773901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).