N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide

C15H15ClN4O2 — CID 90636300

IUPACN-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H15ClN4O2/c16-11-1-3-12(4-2-11)19-15(21)20-8-5-13(10-20)22-14-9-17-6-7-18-14/h1-4,6-7,9,13H,5,8,10H2,(H,19,21)
InChIKeyNLCZYHGAOBGKHV-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.82
Rot. Bonds3

About N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide

N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide (PubChem CID 90636300) has the molecular formula C15H15ClN4O2 and a molecular weight of 318.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
PubChem CID90636300
Molecular FormulaC15H15ClN4O2
Molecular Weight318.76 g/mol
Exact Mass318.09
IUPAC NameN-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H15ClN4O2/c16-11-1-3-12(4-2-11)19-15(21)20-8-5-13(10-20)22-14-9-17-6-7-18-14/h1-4,6-7,9,13H,5,8,10H2,(H,19,21)
InChIKeyNLCZYHGAOBGKHV-UHFFFAOYSA-N
XLogP2.82
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
N-(4-chlorophenyl)-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637561
(3S)-3-pyrazin-2-yloxy-N-thiophen-2-ylpyrrolidine-1-carboxamide
CID 100754062
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
N-(2,6-difluorophenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 71799286
N-(4-chlorophenyl)-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 90639766
(2-chloro-6-fluorophenyl)-[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]methanone
CID 100753127
(3R)-N-(4-fluorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129416268
3-methyl-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]but-2-en-1-one
CID 100753672
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide (CID 90636300) is N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide?
The InChIKey is NLCZYHGAOBGKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O2/c16-11-1-3-12(4-2-11)19-15(21)20-8-5-13(10-20)22-14-9-17-6-7-18-14/h1-4,6-7,9,13H,5,8,10H2,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-pyrazin-2-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 90636300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).