3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

C16H18N6O2 — CID 121351318

IUPAC3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(C)n2C)c(N)nc1-c1ncco1
InChIInChI=1S/C16H18N6O2/c1-9-4-5-11(22(9)3)8-19-15(23)13-14(17)21-12(10(2)20-13)16-18-6-7-24-16/h4-7H,8H2,1-3H3,(H2,17,21)(H,19,23)
InChIKeyNJMGSHWCUZMRAN-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.60
Rot. Bonds4

About 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 121351318) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID121351318
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCc1nc(C(=O)NCc2ccc(C)n2C)c(N)nc1-c1ncco1
InChIInChI=1S/C16H18N6O2/c1-9-4-5-11(22(9)3)8-19-15(23)13-14(17)21-12(10(2)20-13)16-18-6-7-24-16/h4-7H,8H2,1-3H3,(H2,17,21)(H,19,23)
InChIKeyNJMGSHWCUZMRAN-UHFFFAOYSA-N
XLogP1.60
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 121351318) is 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is Cc1nc(C(=O)NCc2ccc(C)n2C)c(N)nc1-c1ncco1.
What is the InChIKey of 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is NJMGSHWCUZMRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-9-4-5-11(22(9)3)8-19-15(23)13-14(17)21-12(10(2)20-13)16-18-6-7-24-16/h4-7H,8H2,1-3H3,(H2,17,21)(H,19,23).
What are the key properties of 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 121351318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).