1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

C16H17ClN4O — CID 118740293

IUPAC1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN4O/c17-13-4-1-3-12(9-13)11-21-8-2-5-16(21,15(18)22)14-10-19-6-7-20-14/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,18,22)
InChIKeyVRVGLDSCKBWJOC-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.11
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide

1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (PubChem CID 118740293) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
PubChem CID118740293
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide
SMILESNC(=O)C1(c2cnccn2)CCCN1Cc1cccc(Cl)c1
InChIInChI=1S/C16H17ClN4O/c17-13-4-1-3-12(9-13)11-21-8-2-5-16(21,15(18)22)14-10-19-6-7-20-14/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,18,22)
InChIKeyVRVGLDSCKBWJOC-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-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide (CID 118740293) is 1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is NC(=O)C1(c2cnccn2)CCCN1Cc1cccc(Cl)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is VRVGLDSCKBWJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c17-13-4-1-3-12(9-13)11-21-8-2-5-16(21,15(18)22)14-10-19-6-7-20-14/h1,3-4,6-7,9-10H,2,5,8,11H2,(H2,18,22).
What are the key properties of 1-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide?
1-[(3-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-[(3-chlorophenyl)methyl]-2-pyrazin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118740293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).