5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide

C11H10ClN5O — CID 107371836

IUPAC5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H10ClN5O/c12-10-8-15-9(7-16-10)11(18)17(5-1-3-13)6-2-4-14/h7-8H,1-2,5-6H2
InChIKeyDWFGLNMITDIQBA-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.40
Rot. Bonds5

About 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide

5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide (PubChem CID 107371836) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide
PubChem CID107371836
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide
SMILESN#CCCN(CCC#N)C(=O)c1cnc(Cl)cn1
InChIInChI=1S/C11H10ClN5O/c12-10-8-15-9(7-16-10)11(18)17(5-1-3-13)6-2-4-14/h7-8H,1-2,5-6H2
InChIKeyDWFGLNMITDIQBA-UHFFFAOYSA-N
XLogP1.40
TPSA93.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-cyanoethyl)-N-ethylpyrazine-2-carboxamide
CID 107375045
5-chloro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)pyrazine-2-carboxamide
CID 107372183
2-chloro-N,N-bis(2-cyanoethyl)-5-nitropyridine-4-carboxamide
CID 103733187
5-chloro-N-heptyl-N-(3-hydroxypropyl)pyrazine-2-carboxamide
CID 107258440
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
CID 103817201
2,5-dichloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 114917914
2-chloro-N,N-bis(2-cyanoethyl)benzamide
CID 521802
N-butyl-5-chloro-N-methylpyrazine-2-carboxamide
CID 103803325
N-(2-cyanoethyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 52762349
N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
CID 103636019
N,N-bis(2-cyanoethyl)-6-fluoropyridine-3-carboxamide
CID 63979683
N-(2-cyanoethyl)-5-hydrazinyl-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 104642764

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide (CID 107371836) is 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide is N#CCCN(CCC#N)C(=O)c1cnc(Cl)cn1.
What is the InChIKey of 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide?
The InChIKey is DWFGLNMITDIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c12-10-8-15-9(7-16-10)11(18)17(5-1-3-13)6-2-4-14/h7-8H,1-2,5-6H2.
What are the key properties of 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide?
5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide has a molecular weight of 263.69 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N,N-bis(2-cyanoethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 107371836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).