3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide

C12H19N5O2 — CID 47401062

IUPAC3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nccnc1N)C(=O)NC(C)(C)C
InChIInChI=1S/C12H19N5O2/c1-7(10(18)17-12(2,3)4)16-11(19)8-9(13)15-6-5-14-8/h5-7H,1-4H3,(H2,13,15)(H,16,19)(H,17,18)
InChIKeyCUOMSOLCUOCHHT-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.09
Rot. Bonds3

About 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide

3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (PubChem CID 47401062) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
PubChem CID47401062
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide
SMILESCC(NC(=O)c1nccnc1N)C(=O)NC(C)(C)C
InChIInChI=1S/C12H19N5O2/c1-7(10(18)17-12(2,3)4)16-11(19)8-9(13)15-6-5-14-8/h5-7H,1-4H3,(H2,13,15)(H,16,19)(H,17,18)
InChIKeyCUOMSOLCUOCHHT-UHFFFAOYSA-N
XLogP0.09
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[(2S)-5-methylhexan-2-yl]pyrazine-2-carboxamide
CID 32652897
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687729
3-amino-N-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 37354088
3-amino-N-(1-methoxypropan-2-yl)pyrazine-2-carboxamide
CID 42940326
2-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]benzamide
CID 112687775
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-pyrazole-5-carboxamide
CID 47400529
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 113276442
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
3-amino-N-[(2R)-4-phenylbutan-2-yl]pyrazine-2-carboxamide
CID 30138259
2-bromo-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 103752610
N-[1-(tert-butylamino)-1-oxopropan-2-yl]-3-fluoro-2-hydrazinylpyridine-4-carboxamide
CID 105388576
3-amino-N-[4-(4-bromophenyl)butan-2-yl]pyrazine-2-carboxamide
CID 75834144

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide (CID 47401062) is 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is CC(NC(=O)c1nccnc1N)C(=O)NC(C)(C)C.
What is the InChIKey of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
The InChIKey is CUOMSOLCUOCHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7(10(18)17-12(2,3)4)16-11(19)8-9(13)15-6-5-14-8/h5-7H,1-4H3,(H2,13,15)(H,16,19)(H,17,18).
What are the key properties of 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide?
3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(tert-butylamino)-1-oxopropan-2-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 47401062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).