3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide

C13H11N5O2 — CID 86921862

IUPAC3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3nccnc3N)cc2o1
InChIInChI=1S/C13H11N5O2/c1-7-17-9-3-2-8(6-10(9)20-7)18-13(19)11-12(14)16-5-4-15-11/h2-6H,1H3,(H2,14,16)(H,18,19)
InChIKeyZQALNXRWWBMRRM-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.76
Rot. Bonds2

About 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide

3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide (PubChem CID 86921862) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
PubChem CID86921862
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide
SMILESCc1nc2ccc(NC(=O)c3nccnc3N)cc2o1
InChIInChI=1S/C13H11N5O2/c1-7-17-9-3-2-8(6-10(9)20-7)18-13(19)11-12(14)16-5-4-15-11/h2-6H,1H3,(H2,14,16)(H,18,19)
InChIKeyZQALNXRWWBMRRM-UHFFFAOYSA-N
XLogP1.76
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methyl-1,3-benzoxazol-6-yl)carbamoyl bromide
CID 115193310
5-bromo-3-methyl-N-(2-methyl-1,3-benzoxazol-6-yl)furan-2-carboxamide
CID 87000879
(2R)-2-amino-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide;dihydrochloride
CID 119842889
3-amino-N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]pyrazine-2-carboxamide
CID 136577955
2,2-dimethyl-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115163948
N-(4-carbamoylphenyl)-2-methyl-1,3-benzoxazole-6-carboxamide
CID 110765302
2-amino-3-[(2-methyl-1,3-benzoxazol-6-yl)amino]-3-oxopropanoic acid
CID 115179128
3-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazine-2-carboxamide
CID 38467954
5-ethyl-N-(2-methyl-1,3-benzoxazol-6-yl)-1H-pyrazole-3-carboxamide
CID 86930357
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazine-2-carboxamide
CID 30136975
3-amino-N-(4-iodophenyl)pyrazine-2-carboxamide
CID 46525550
3,3,3-trifluoro-N-(2-methyl-1,3-benzoxazol-6-yl)propanamide
CID 86924240

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide (CID 86921862) is 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide is Cc1nc2ccc(NC(=O)c3nccnc3N)cc2o1.
What is the InChIKey of 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide?
The InChIKey is ZQALNXRWWBMRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-7-17-9-3-2-8(6-10(9)20-7)18-13(19)11-12(14)16-5-4-15-11/h2-6H,1H3,(H2,14,16)(H,18,19).
What are the key properties of 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide?
3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-1,3-benzoxazol-6-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 86921862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).