N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide

C12H10ClN3O — CID 5042461

IUPACN-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnccn1
InChIInChI=1S/C12H10ClN3O/c13-10-4-2-1-3-9(10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17)
InChIKeyXJTBRRODSMDDRP-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.06
Rot. Bonds3

About N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide

N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 5042461) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID5042461
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC NameN-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1cnccn1
InChIInChI=1S/C12H10ClN3O/c13-10-4-2-1-3-9(10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17)
InChIKeyXJTBRRODSMDDRP-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide (CID 5042461) is N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide is O=C(NCc1ccccc1Cl)c1cnccn1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is XJTBRRODSMDDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-10-4-2-1-3-9(10)7-16-12(17)11-8-14-5-6-15-11/h1-6,8H,7H2,(H,16,17).
What are the key properties of N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 5042461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).