1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C16H17ClN4O — CID 118740281

IUPAC1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O/c17-13-4-2-12(3-5-13)11-21-9-1-6-16(21,15(18)22)14-10-19-7-8-20-14/h2-5,7-8,10H,1,6,9,11H2,(H2,18,22)
InChIKeyWQZUICUKMVNFGC-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.11
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 118740281) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID118740281
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClN4O/c17-13-4-2-12(3-5-13)11-21-9-1-6-16(21,15(18)22)14-10-19-7-8-20-14/h2-5,7-8,10H,1,6,9,11H2,(H2,18,22)
InChIKeyWQZUICUKMVNFGC-UHFFFAOYSA-N
XLogP2.11
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 118740281) is 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)C1(c2cnccn2)CCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is WQZUICUKMVNFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-4-2-12(3-5-13)11-21-9-1-6-16(21,15(18)22)14-10-19-7-8-20-14/h2-5,7-8,10H,1,6,9,11H2,(H2,18,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118740281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).