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

C12H11ClN4O — CID 113381834

IUPAC5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)NCc2ccccc2Cl)cn1
InChIInChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)5-17-12(18)10-6-16-11(14)7-15-10/h1-4,6-7H,5H2,(H2,14,16)(H,17,18)
InChIKeyPCOANWOLUNMTFC-UHFFFAOYSA-N
MW262.70 g/mol
LogP1.64
Rot. Bonds3

About 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide

5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 113381834) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID113381834
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESNc1cnc(C(=O)NCc2ccccc2Cl)cn1
InChIInChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)5-17-12(18)10-6-16-11(14)7-15-10/h1-4,6-7H,5H2,(H2,14,16)(H,17,18)
InChIKeyPCOANWOLUNMTFC-UHFFFAOYSA-N
XLogP1.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281813
5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 113381822
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812
5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377156
5-[benzyl(ethyl)amino]-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281796
5-amino-N-(2-chloro-6-fluorophenyl)pyrazine-2-carboxamide
CID 107377043
N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109281831
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109281808
N-[(2-chlorophenyl)methyl]isoquinoline-1-carboxamide
CID 110851409

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide (CID 113381834) is 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide is Nc1cnc(C(=O)NCc2ccccc2Cl)cn1.
What is the InChIKey of 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is PCOANWOLUNMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c13-9-4-2-1-3-8(9)5-17-12(18)10-6-16-11(14)7-15-10/h1-4,6-7H,5H2,(H2,14,16)(H,17,18).
What are the key properties of 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 262.70 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 113381834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).