3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide

C22H23N5O2 — CID 90934987

IUPAC3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCc1cc(C)cc(CNC(=O)c2cccc(Cc3cnc(N)c(C(N)=O)n3)c2)c1
InChIInChI=1S/C22H23N5O2/c1-13-6-14(2)8-16(7-13)11-26-22(29)17-5-3-4-15(9-17)10-18-12-25-20(23)19(27-18)21(24)28/h3-9,12H,10-11H2,1-2H3,(H2,23,25)(H2,24,28)(H,26,29)
InChIKeyWDWDFQFZKXQPIM-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.30
Rot. Bonds6

About 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide

3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide (PubChem CID 90934987) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
PubChem CID90934987
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
SMILESCc1cc(C)cc(CNC(=O)c2cccc(Cc3cnc(N)c(C(N)=O)n3)c2)c1
InChIInChI=1S/C22H23N5O2/c1-13-6-14(2)8-16(7-13)11-26-22(29)17-5-3-4-15(9-17)10-18-12-25-20(23)19(27-18)21(24)28/h3-9,12H,10-11H2,1-2H3,(H2,23,25)(H2,24,28)(H,26,29)
InChIKeyWDWDFQFZKXQPIM-UHFFFAOYSA-N
XLogP2.30
TPSA123.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[[3-[(4-tert-butylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91435345
3-amino-6-[[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91434682
3-amino-6-[[3-[[(4-iodobenzoyl)amino]methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 91365344
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-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-methylpyrazine-2-carboxamide
CID 68651456
3-amino-N-methyl-6-[3-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68651018
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
3-amino-6-[(4-hydroxyphenyl)methyl]pyrazine-2-carboxamide
CID 90893973
3-amino-6-[3-(benzylcarbamoyl)phenyl]pyrazine-2-carboxylic acid
CID 68650248
3-[5-amino-6-[2-(4-methylphenyl)acetyl]pyrazin-2-yl]-N-benzylbenzamide
CID 68650974
3-amino-N-methyl-6-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]pyrazine-2-carboxamide
CID 68652174

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide (CID 90934987) is 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide is Cc1cc(C)cc(CNC(=O)c2cccc(Cc3cnc(N)c(C(N)=O)n3)c2)c1.
What is the InChIKey of 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
The InChIKey is WDWDFQFZKXQPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-13-6-14(2)8-16(7-13)11-26-22(29)17-5-3-4-15(9-17)10-18-12-25-20(23)19(27-18)21(24)28/h3-9,12H,10-11H2,1-2H3,(H2,23,25)(H2,24,28)(H,26,29).
What are the key properties of 3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide?
3-amino-6-[[3-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.30, 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-[(3,5-dimethylphenyl)methylcarbamoyl]phenyl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 90934987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).