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

C12H14N6O3 — CID 46477513

IUPAC3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)c2nccnc2N)no1
InChIInChI=1S/C12H14N6O3/c1-7-5-8(17-21-7)16-9(19)6-18(2)12(20)10-11(13)15-4-3-14-10/h3-5H,6H2,1-2H3,(H2,13,15)(H,16,17,19)
InChIKeyLOVCHEJVGHVXDT-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.07
Rot. Bonds4

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

3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide (PubChem CID 46477513) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
PubChem CID46477513
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide
SMILESCc1cc(NC(=O)CN(C)C(=O)c2nccnc2N)no1
InChIInChI=1S/C12H14N6O3/c1-7-5-8(17-21-7)16-9(19)6-18(2)12(20)10-11(13)15-4-3-14-10/h3-5H,6H2,1-2H3,(H2,13,15)(H,16,17,19)
InChIKeyLOVCHEJVGHVXDT-UHFFFAOYSA-N
XLogP0.07
TPSA127.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyridine-2-carboxamide
CID 107518559
2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 60947011
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 60947012
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-2H-triazole-4-carboxamide
CID 112732797
(2R)-2-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 54996242
2-amino-N,2-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 61265039
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 51267288
4-(diethylaminomethyl)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 46477484
2-[(2-methoxyacetyl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47126662
N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305505
2,3-dimethyl-4-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-4-oxobut-2-enoic acid
CID 76993005
2-amino-N,4-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide
CID 60947443

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide (CID 46477513) is 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide is Cc1cc(NC(=O)CN(C)C(=O)c2nccnc2N)no1.
What is the InChIKey of 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide?
The InChIKey is LOVCHEJVGHVXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-7-5-8(17-21-7)16-9(19)6-18(2)12(20)10-11(13)15-4-3-14-10/h3-5H,6H2,1-2H3,(H2,13,15)(H,16,17,19).
What are the key properties of 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide?
3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 46477513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).