N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide

C13H22N4O2 — CID 59883649

IUPACN'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide
SMILESCC(=O)CN1C=CN(C)[C@@H](CCC/N=C(\C)N)C1=O
InChIInChI=1S/C13H22N4O2/c1-10(18)9-17-8-7-16(3)12(13(17)19)5-4-6-15-11(2)14/h7-8,12H,4-6,9H2,1-3H3,(H2,14,15)/t12-/m0/s1
InChIKeyMNBMZZFQCSNTBD-LBPRGKRZSA-N
MW266.34 g/mol
LogP0.35
Rot. Bonds6

About N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide

N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide (PubChem CID 59883649) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide.

Molecular Properties

Compound NameN'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide
PubChem CID59883649
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide
SMILESCC(=O)CN1C=CN(C)[C@@H](CCC/N=C(\C)N)C1=O
InChIInChI=1S/C13H22N4O2/c1-10(18)9-17-8-7-16(3)12(13(17)19)5-4-6-15-11(2)14/h7-8,12H,4-6,9H2,1-3H3,(H2,14,15)/t12-/m0/s1
InChIKeyMNBMZZFQCSNTBD-LBPRGKRZSA-N
XLogP0.35
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
CID 22969712
N'-[3-[(2S)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
CID 59883636
2-[(2S)-2-[3-(1-aminoethylideneamino)propyl]-1-methyl-3-oxo-2H-pyrazin-4-yl]acetic acid
CID 59883639
(2S)-5-(1-aminoethylideneamino)-2-(methylamino)-N,N-bis(2-oxopropyl)pentanamide
CID 59883644
N'-[3-[(2S)-3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
CID 59883664
N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
CID 59883667
2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]-N-(2-oxopropyl)butanamide
CID 142039095
2-[2-[3-(1-aminoethylideneamino)propyl]-1-methyl-3-oxo-2H-pyrazin-4-yl]acetic acid
CID 18717725
N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide
CID 18717752
N'-[3-[1-methyl-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
CID 18717753
N'-[3-[3,6-dioxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
CID 18717754
N'-[3-[3-oxo-4-(2-oxopropyl)piperazin-2-yl]propyl]ethanimidamide
CID 18717755

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide?
The IUPAC name of N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide (CID 59883649) is N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide.
What is the SMILES notation for N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide?
The canonical SMILES for N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide is CC(=O)CN1C=CN(C)[C@@H](CCC/N=C(\C)N)C1=O.
What is the InChIKey of N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide?
The InChIKey is MNBMZZFQCSNTBD-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(18)9-17-8-7-16(3)12(13(17)19)5-4-6-15-11(2)14/h7-8,12H,4-6,9H2,1-3H3,(H2,14,15)/t12-/m0/s1.
What are the key properties of N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide?
N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide has a molecular weight of 266.34 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2S)-1-methyl-3-oxo-4-(2-oxopropyl)-2H-pyrazin-2-yl]propyl]ethanimidamide is sourced from PubChem (CID 59883649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).