N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide

C17H15ClN4O — CID 75489736

IUPACN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)c1cnccn1
InChIInChI=1S/C17H15ClN4O/c18-12-5-1-3-10-11-4-2-6-13(16(11)22-15(10)12)21-17(23)14-9-19-7-8-20-14/h1,3,5,7-9,13,22H,2,4,6H2,(H,21,23)
InChIKeyWSZPDZLCESJXJU-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.42
Rot. Bonds2

About N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide

N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide (PubChem CID 75489736) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
PubChem CID75489736
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide
SMILESO=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)c1cnccn1
InChIInChI=1S/C17H15ClN4O/c18-12-5-1-3-10-11-4-2-6-13(16(11)22-15(10)12)21-17(23)14-9-19-7-8-20-14/h1,3,5,7-9,13,22H,2,4,6H2,(H,21,23)
InChIKeyWSZPDZLCESJXJU-UHFFFAOYSA-N
XLogP3.42
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide (CID 75489736) is N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide is O=C(NC1CCCc2c1[nH]c1c(Cl)cccc21)c1cnccn1.
What is the InChIKey of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide?
The InChIKey is WSZPDZLCESJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c18-12-5-1-3-10-11-4-2-6-13(16(11)22-15(10)12)21-17(23)14-9-19-7-8-20-14/h1,3,5,7-9,13,22H,2,4,6H2,(H,21,23).
What are the key properties of N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide?
N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 75489736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).