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

C16H17N6O3+ — CID 145086016

IUPAC3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCO[n+]1cccc(CNC(=O)c2nc(C)c(-c3ncco3)nc2N)c1
InChIInChI=1S/C16H16N6O3/c1-10-12(16-18-5-7-25-16)21-14(17)13(20-10)15(23)19-8-11-4-3-6-22(9-11)24-2/h3-7,9H,8H2,1-2H3,(H2-,17,19,21,23)/p+1
InChIKeyZBUKLHPSWVOIEW-UHFFFAOYSA-O
MW341.35 g/mol
LogP0.30
Rot. Bonds5

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

3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (PubChem CID 145086016) has the molecular formula C16H17N6O3+ and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
PubChem CID145086016
Molecular FormulaC16H17N6O3+
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
SMILESCO[n+]1cccc(CNC(=O)c2nc(C)c(-c3ncco3)nc2N)c1
InChIInChI=1S/C16H16N6O3/c1-10-12(16-18-5-7-25-16)21-14(17)13(20-10)15(23)19-8-11-4-3-6-22(9-11)24-2/h3-7,9H,8H2,1-2H3,(H2-,17,19,21,23)/p+1
InChIKeyZBUKLHPSWVOIEW-UHFFFAOYSA-O
XLogP0.30
TPSA120.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(pyridin-3-ylmethyl)pyrazine-2-carboxamide
CID 121351154
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-(1,2-oxazol-5-ylmethyl)pyrazine-2-carboxamide
CID 121351203
3-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351318
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrazine-2-carboxamide
CID 121351359
3-amino-6-methyl-N-[(1-methylpyrazol-3-yl)methyl]-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351267
3-amino-N-methoxy-N,6-dimethyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121350983
3-amino-N-[(3-ethyl-4-fluoro-2-pyridinyl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351365
3-amino-N-[(2Z,4Z)-2,5-diamino-4-methylpenta-2,4-dienyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 145085896
3-amino-6-methyl-5-(1,3-oxazol-2-yl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]pyrazine-2-carboxamide
CID 121351247
3-amino-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351038
3-amino-N-[(3-fluorophenyl)methyl]-5-(1,3-oxazol-2-yl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658075
3-amino-N-(2-fluorocyclopentyl)-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide
CID 121351048

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide (CID 145086016) is 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is CO[n+]1cccc(CNC(=O)c2nc(C)c(-c3ncco3)nc2N)c1.
What is the InChIKey of 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
The InChIKey is ZBUKLHPSWVOIEW-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16N6O3/c1-10-12(16-18-5-7-25-16)21-14(17)13(20-10)15(23)19-8-11-4-3-6-22(9-11)24-2/h3-7,9H,8H2,1-2H3,(H2-,17,19,21,23)/p+1.
What are the key properties of 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-methoxypyridin-1-ium-3-yl)methyl]-6-methyl-5-(1,3-oxazol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 145086016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).