N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide

C21H23N5O — CID 109283705

IUPACN-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(NCc3ccncc3)cn2)cc1
InChIInChI=1S/C21H23N5O/c1-21(2,3)16-4-6-17(7-5-16)26-20(27)18-13-25-19(14-23-18)24-12-15-8-10-22-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyJEMZDYHUCLLNMF-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.03
Rot. Bonds5

About N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide

N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283705) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283705
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(NCc3ccncc3)cn2)cc1
InChIInChI=1S/C21H23N5O/c1-21(2,3)16-4-6-17(7-5-16)26-20(27)18-13-25-19(14-23-18)24-12-15-8-10-22-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyJEMZDYHUCLLNMF-UHFFFAOYSA-N
XLogP4.03
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283696
N-(4-bromophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283719
N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283133
5-[(4-fluorophenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109281758
5-(pyridin-4-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrazine-2-carboxamide
CID 109283745
N-(4-piperidin-1-ylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283746
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-(2-ethylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283695
N-(2,6-difluorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283780
N-(2-chlorophenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283708
N-(4-acetamidophenyl)-5-[(4-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282564
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide (CID 109283705) is N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cnc(NCc3ccncc3)cn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is JEMZDYHUCLLNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-21(2,3)16-4-6-17(7-5-16)26-20(27)18-13-25-19(14-23-18)24-12-15-8-10-22-11-9-15/h4-11,13-14H,12H2,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide?
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).