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

C16H19ClN4O — CID 109281813

IUPAC5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)Nc1cnc(C(=O)NCc2ccccc2Cl)cn1
InChIInChI=1S/C16H19ClN4O/c1-16(2,3)21-14-10-18-13(9-19-14)15(22)20-8-11-6-4-5-7-12(11)17/h4-7,9-10H,8H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQBQPRCOVRZWXRS-UHFFFAOYSA-N
MW318.81 g/mol
LogP3.27
Rot. Bonds4

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

5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 109281813) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID109281813
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)Nc1cnc(C(=O)NCc2ccccc2Cl)cn1
InChIInChI=1S/C16H19ClN4O/c1-16(2,3)21-14-10-18-13(9-19-14)15(22)20-8-11-6-4-5-7-12(11)17/h4-7,9-10H,8H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyQBQPRCOVRZWXRS-UHFFFAOYSA-N
XLogP3.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
5-(tert-butylamino)-N-[(4-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109282005
N-[(2-chlorophenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109281812
5-amino-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 113381834
N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281939
N-[(2-chlorophenyl)methyl]-5-(2,5-dimethylanilino)pyrazine-2-carboxamide
CID 109281831
5-(ethylamino)-N-[(2-ethylphenyl)methyl]pyrazine-2-carboxamide
CID 107375903
N-[(2-chlorophenyl)methyl]-5-(propylamino)pyridine-2-carboxamide
CID 109179268
6-N-tert-butyl-2-N-[(2-chlorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097887
N-[(2-chlorophenyl)methyl]-5-[(1,1-dioxothiolan-3-yl)amino]pyrazine-2-carboxamide
CID 109281808
N-butyl-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109272412
N-(2-bromophenyl)-5-(tert-butylamino)pyrazine-2-carboxamide
CID 109287425

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide (CID 109281813) is 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide is CC(C)(C)Nc1cnc(C(=O)NCc2ccccc2Cl)cn1.
What is the InChIKey of 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is QBQPRCOVRZWXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-16(2,3)21-14-10-18-13(9-19-14)15(22)20-8-11-6-4-5-7-12(11)17/h4-7,9-10H,8H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide?
5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 109281813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).