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

C21H23N5O — CID 109283133

IUPACN-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(NCc3ccccn3)cn2)cc1
InChIInChI=1S/C21H23N5O/c1-21(2,3)15-7-9-16(10-8-15)26-20(27)18-13-25-19(14-23-18)24-12-17-6-4-5-11-22-17/h4-11,13-14H,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyVJSUYPUNKQECHO-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.03
Rot. Bonds5

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

N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide (PubChem CID 109283133) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
PubChem CID109283133
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2cnc(NCc3ccccn3)cn2)cc1
InChIInChI=1S/C21H23N5O/c1-21(2,3)15-7-9-16(10-8-15)26-20(27)18-13-25-19(14-23-18)24-12-17-6-4-5-11-22-17/h4-11,13-14H,12H2,1-3H3,(H,24,25)(H,26,27)
InChIKeyVJSUYPUNKQECHO-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-chlorophenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283138
methyl 4-[[5-(pyridin-2-ylmethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109283169
4-tert-butyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012677
N-(3-bromo-4-methylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283148
5-(pyridin-2-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109283161
N-(4-tert-butylphenyl)-5-(pyridin-4-ylmethylamino)pyrazine-2-carboxamide
CID 109283705
N-(pyridin-2-ylmethyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109282922
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
N-propyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109270793
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-pentyl-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide
CID 109283102

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide (CID 109283133) is N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2cnc(NCc3ccccn3)cn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(pyridin-2-ylmethylamino)pyrazine-2-carboxamide?
The InChIKey is VJSUYPUNKQECHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-21(2,3)15-7-9-16(10-8-15)26-20(27)18-13-25-19(14-23-18)24-12-17-6-4-5-11-22-17/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-2-ylmethylamino)pyrazine-2-carboxamide?
N-(4-tert-butylphenyl)-5-(pyridin-2-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-2-ylmethylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109283133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).