6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide

C14H11ClN4O — CID 106551023

IUPAC6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cncc(Cl)n1)c1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN4O/c1-9(11-4-2-10(6-16)3-5-11)18-14(20)12-7-17-8-13(15)19-12/h2-5,7-9H,1H3,(H,18,20)
InChIKeyPVRYXJMQIYKRPC-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.49
Rot. Bonds3

About 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide

6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide (PubChem CID 106551023) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide
PubChem CID106551023
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1cncc(Cl)n1)c1ccc(C#N)cc1
InChIInChI=1S/C14H11ClN4O/c1-9(11-4-2-10(6-16)3-5-11)18-14(20)12-7-17-8-13(15)19-12/h2-5,7-9H,1H3,(H,18,20)
InChIKeyPVRYXJMQIYKRPC-UHFFFAOYSA-N
XLogP2.49
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
1-[(1R)-1-(4-cyanophenyl)ethyl]-3-[(1S)-1-(4-cyanophenyl)ethyl]urea
CID 94023184
6-chloro-N-[1-(furan-2-yl)ethyl]pyrazine-2-carboxamide
CID 106550906
6-chloro-N-(5-cyano-2-methylphenyl)pyrazine-2-carboxamide
CID 106551252
5-chloro-N-[1-(4-cyanophenyl)ethyl]furan-2-carboxamide
CID 113221636
6-chloro-N-(1-thiophen-2-ylethyl)pyrazine-2-carboxamide
CID 106550862
6-cyano-N-[1-(3,4-difluorophenyl)ethyl]pyrazine-2-carboxamide
CID 175938262
6-chloro-N-[1-(3-nitrophenyl)ethyl]pyrazine-2-carboxamide
CID 103187129
6-chloro-N-(2-methyl-1-phenylpropyl)pyrazine-2-carboxamide
CID 103336985
5-bromo-2-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 55582791

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide (CID 106551023) is 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide is CC(NC(=O)c1cncc(Cl)n1)c1ccc(C#N)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide?
The InChIKey is PVRYXJMQIYKRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-9(11-4-2-10(6-16)3-5-11)18-14(20)12-7-17-8-13(15)19-12/h2-5,7-9H,1H3,(H,18,20).
What are the key properties of 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide?
6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide has a molecular weight of 286.72 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-cyanophenyl)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 106551023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).