N-(3,4-dichlorophenyl)pyrazine-2-carboxamide

C11H7Cl2N3O — CID 871161

IUPACN-(3,4-dichlorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnccn1
InChIInChI=1S/C11H7Cl2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17)
InChIKeyLWDQDINLOWAZSL-UHFFFAOYSA-N
MW268.10 g/mol
LogP3.04
Rot. Bonds2

About N-(3,4-dichlorophenyl)pyrazine-2-carboxamide

N-(3,4-dichlorophenyl)pyrazine-2-carboxamide (PubChem CID 871161) has the molecular formula C11H7Cl2N3O and a molecular weight of 268.10 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)pyrazine-2-carboxamide
PubChem CID871161
Molecular FormulaC11H7Cl2N3O
Molecular Weight268.10 g/mol
Exact Mass267.00
IUPAC NameN-(3,4-dichlorophenyl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1cnccn1
InChIInChI=1S/C11H7Cl2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17)
InChIKeyLWDQDINLOWAZSL-UHFFFAOYSA-N
XLogP3.04
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 803568
CID 803568
CID 16773791
CID 16773791
CID 470912
CID 470912
CID 4644726
CID 4644726
CID 746701
CID 746701
CID 897509
CID 897509
CID 113447561
CID 113447561
CID 145975906
CID 145975906
CID 279866
CID 279866
CID 101884645
CID 101884645
CID 739901
CID 739901
CID 56587900
CID 56587900

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)pyrazine-2-carboxamide (CID 871161) is N-(3,4-dichlorophenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)pyrazine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1cnccn1.
What is the InChIKey of N-(3,4-dichlorophenyl)pyrazine-2-carboxamide?
The InChIKey is LWDQDINLOWAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N3O/c12-8-2-1-7(5-9(8)13)16-11(17)10-6-14-3-4-15-10/h1-6H,(H,16,17).
What are the key properties of N-(3,4-dichlorophenyl)pyrazine-2-carboxamide?
N-(3,4-dichlorophenyl)pyrazine-2-carboxamide has a molecular weight of 268.10 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 871161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).