N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide

C22H23ClN4O — CID 109281939

IUPACN-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C22H23ClN4O/c1-22(2,3)16-9-5-7-11-18(16)27-21(28)19-13-26-20(14-24-19)25-12-15-8-4-6-10-17(15)23/h4-11,13-14H,12H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyPMPXDBUCMCATGI-UHFFFAOYSA-N
MW394.91 g/mol
LogP5.29
Rot. Bonds5

About N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide

N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide (PubChem CID 109281939) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
PubChem CID109281939
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2Cl)cn1
InChIInChI=1S/C22H23ClN4O/c1-22(2,3)16-9-5-7-11-18(16)27-21(28)19-13-26-20(14-24-19)25-12-15-8-4-6-10-17(15)23/h4-11,13-14H,12H2,1-3H3,(H,25,26)(H,27,28)
InChIKeyPMPXDBUCMCATGI-UHFFFAOYSA-N
XLogP5.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.91
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281479
5-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281505
N-(2-chlorophenyl)-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282336
5-(benzylamino)-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109279902
5-(tert-butylamino)-N-[(2-chlorophenyl)methyl]pyrazine-2-carboxamide
CID 109281813
N-(3-chlorophenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281944
N-(2-chlorophenyl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374242
N-[(2-chlorophenyl)methyl]-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide
CID 109280627
5-[(2-chlorophenyl)methylamino]-N-(3-fluorophenyl)pyrazine-2-carboxamide
CID 109281970
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyrazine-2-carboxamide
CID 109292240
5-[(4-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281756
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide (CID 109281939) is N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cnc(NCc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide?
The InChIKey is PMPXDBUCMCATGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-22(2,3)16-9-5-7-11-18(16)27-21(28)19-13-26-20(14-24-19)25-12-15-8-4-6-10-17(15)23/h4-11,13-14H,12H2,1-3H3,(H,25,26)(H,27,28).
What are the key properties of N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide?
N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 5.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-[(2-chlorophenyl)methylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 109281939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).