5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide

C12H18N4O3 — CID 107377151

IUPAC5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cnc(N)cn1
InChIInChI=1S/C12H18N4O3/c1-16(8-12(18)2-4-19-5-3-12)11(17)9-6-15-10(13)7-14-9/h6-7,18H,2-5,8H2,1H3,(H2,13,15)
InChIKeyYGVINFBTOWXLNL-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.33
Rot. Bonds3

About 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide

5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide (PubChem CID 107377151) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide
PubChem CID107377151
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide
SMILESCN(CC1(O)CCOCC1)C(=O)c1cnc(N)cn1
InChIInChI=1S/C12H18N4O3/c1-16(8-12(18)2-4-19-5-3-12)11(17)9-6-15-10(13)7-14-9/h6-7,18H,2-5,8H2,1H3,(H2,13,15)
InChIKeyYGVINFBTOWXLNL-UHFFFAOYSA-N
XLogP-0.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,3-dimethylbenzamide
CID 114946885
5-bromo-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114953304
N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114951605
3,5-dihydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 105339952
3-(4-aminophenyl)-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950105
3-fluoro-2-hydrazinyl-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-4-carboxamide
CID 105388683
5-amino-2,3-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 107186071
3-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,4-dimethylbenzamide
CID 114946931
4-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 114946954
4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114948839
2-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpropanamide
CID 114949096
5-amino-N-(cyclohexylmethyl)-N-methylpyrazine-2-carboxamide
CID 113381864

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide (CID 107377151) is 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide is CN(CC1(O)CCOCC1)C(=O)c1cnc(N)cn1.
What is the InChIKey of 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is YGVINFBTOWXLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-16(8-12(18)2-4-19-5-3-12)11(17)9-6-15-10(13)7-14-9/h6-7,18H,2-5,8H2,1H3,(H2,13,15).
What are the key properties of 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide?
5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 266.30 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 107377151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).