1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide

C16H13ClN4O — CID 130175298

IUPAC1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cccn1Cc1ccccc1
InChIInChI=1S/C16H13ClN4O/c17-14-9-19-15(10-18-14)20-16(22)13-7-4-8-21(13)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20,22)
InChIKeyHBHSPUXKSPNVKB-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.23
Rot. Bonds4

About 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide

1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide (PubChem CID 130175298) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide
PubChem CID130175298
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide
SMILESO=C(Nc1cnc(Cl)cn1)c1cccn1Cc1ccccc1
InChIInChI=1S/C16H13ClN4O/c17-14-9-19-15(10-18-14)20-16(22)13-7-4-8-21(13)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20,22)
InChIKeyHBHSPUXKSPNVKB-UHFFFAOYSA-N
XLogP3.23
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide (CID 130175298) is 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide is O=C(Nc1cnc(Cl)cn1)c1cccn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide?
The InChIKey is HBHSPUXKSPNVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-14-9-19-15(10-18-14)20-16(22)13-7-4-8-21(13)11-12-5-2-1-3-6-12/h1-10H,11H2,(H,19,20,22).
What are the key properties of 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide?
1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(5-chloropyrazin-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 130175298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).