5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide

C17H19ClN4O — CID 58315656

IUPAC5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C17H19ClN4O/c18-16-11-20-15(10-21-16)17(23)22-14-7-4-12(5-8-14)3-6-13-2-1-9-19-13/h4-5,7-8,10-11,13,19H,1-3,6,9H2,(H,22,23)
InChIKeyISNHDEFBQIGMAB-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.07
Rot. Bonds5

About 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide

5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide (PubChem CID 58315656) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide
PubChem CID58315656
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(CCC2CCCN2)cc1)c1cnc(Cl)cn1
InChIInChI=1S/C17H19ClN4O/c18-16-11-20-15(10-21-16)17(23)22-14-7-4-12(5-8-14)3-6-13-2-1-9-19-13/h4-5,7-8,10-11,13,19H,1-3,6,9H2,(H,22,23)
InChIKeyISNHDEFBQIGMAB-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide (CID 58315656) is 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(CCC2CCCN2)cc1)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide?
The InChIKey is ISNHDEFBQIGMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-16-11-20-15(10-21-16)17(23)22-14-7-4-12(5-8-14)3-6-13-2-1-9-19-13/h4-5,7-8,10-11,13,19H,1-3,6,9H2,(H,22,23).
What are the key properties of 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide?
5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-(2-pyrrolidin-2-ylethyl)phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 58315656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).