3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide

C24H27N5O2 — CID 91435345

IUPAC3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2cccc(Cc3cnc(N)c(C(N)=O)n3)c2)cc1
InChIInChI=1S/C24H27N5O2/c1-24(2,3)18-9-7-15(8-10-18)13-28-23(31)17-6-4-5-16(11-17)12-19-14-27-21(25)20(29-19)22(26)30/h4-11,14H,12-13H2,1-3H3,(H2,25,27)(H2,26,30)(H,28,31)
InChIKeyNXWQOUDPBJCHFW-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.98
Rot. Bonds6

About 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide

3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 91435345) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID91435345
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)c2cccc(Cc3cnc(N)c(C(N)=O)n3)c2)cc1
InChIInChI=1S/C24H27N5O2/c1-24(2,3)18-9-7-15(8-10-18)13-28-23(31)17-6-4-5-16(11-17)12-19-14-27-21(25)20(29-19)22(26)30/h4-11,14H,12-13H2,1-3H3,(H2,25,27)(H2,26,30)(H,28,31)
InChIKeyNXWQOUDPBJCHFW-UHFFFAOYSA-N
XLogP2.98
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 90934987
3-amino-6-[[3-[[(4-iodobenzoyl)amino]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91365344
3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91434682
3-amino-6-[[3-[1-(4-fluorophenyl)ethylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91237132
3-amino-6-[[3-(hydroxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 68823954
3-amino-6-[3-[(4-hydroxyphenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 68651766
3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide
CID 90893973
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-amino-6-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456
3-amino-N-methyl-6-[3-[[(4-propylbenzoyl)amino]methyl]phenyl]pyrazine-2-carboxamide
CID 68820915
3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651018

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide (CID 91435345) is 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide is CC(C)(C)c1ccc(CNC(=O)c2cccc(Cc3cnc(N)c(C(N)=O)n3)c2)cc1.
What is the InChIKey of 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is NXWQOUDPBJCHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-24(2,3)18-9-7-15(8-10-18)13-28-23(31)17-6-4-5-16(11-17)12-19-14-27-21(25)20(29-19)22(26)30/h4-11,14H,12-13H2,1-3H3,(H2,25,27)(H2,26,30)(H,28,31).
What are the key properties of 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 91435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).