N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide

C11H17N5O2 — CID 114176591

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C11H17N5O2/c1-6(2)9(10(12)17)16-11(18)7-4-14-5-8(13-3)15-7/h4-6,9H,1-3H3,(H2,12,17)(H,13,15)(H,16,18)
InChIKeyPFFUSIVZXZWTKL-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.24
Rot. Bonds5

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide (PubChem CID 114176591) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide
PubChem CID114176591
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cncc(C(=O)NC(C(N)=O)C(C)C)n1
InChIInChI=1S/C11H17N5O2/c1-6(2)9(10(12)17)16-11(18)7-4-14-5-8(13-3)15-7/h4-6,9H,1-3H3,(H2,12,17)(H,13,15)(H,16,18)
InChIKeyPFFUSIVZXZWTKL-UHFFFAOYSA-N
XLogP-0.24
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]-6-(methylamino)pyrazine-2-carboxamide
CID 114035854
N-[1-(1H-imidazol-2-yl)ethyl]-6-(methylamino)pyrazine-2-carboxamide
CID 114036094
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 106347134
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 106345629
2-(aminomethyl)-N-(1-amino-3-methyl-1-oxobutan-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779356
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 106346904
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-chloro-6-(methylamino)pyridine-3-carboxamide
CID 106347150
6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide
CID 114035620
6-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 114036218
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-6-(methylamino)pyrazine-2-carboxamide
CID 106304126
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-(ethylamino)pyridine-4-carboxamide
CID 106347123

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide (CID 114176591) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide is CNc1cncc(C(=O)NC(C(N)=O)C(C)C)n1.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide?
The InChIKey is PFFUSIVZXZWTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-6(2)9(10(12)17)16-11(18)7-4-14-5-8(13-3)15-7/h4-6,9H,1-3H3,(H2,12,17)(H,13,15)(H,16,18).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide has a molecular weight of 251.29 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-6-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 114176591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).