N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide

C11H16N4O2 — CID 30826771

IUPACN-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1cnccn1
InChIInChI=1S/C11H16N4O2/c1-8(2)10(16)14-5-6-15-11(17)9-7-12-3-4-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCRSUXMUGKHFROQ-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.02
Rot. Bonds5

About N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide

N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide (PubChem CID 30826771) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide
PubChem CID30826771
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC NameN-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide
SMILESCC(C)C(=O)NCCNC(=O)c1cnccn1
InChIInChI=1S/C11H16N4O2/c1-8(2)10(16)14-5-6-15-11(17)9-7-12-3-4-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyCRSUXMUGKHFROQ-UHFFFAOYSA-N
XLogP-0.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide?
The IUPAC name of N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide (CID 30826771) is N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide is CC(C)C(=O)NCCNC(=O)c1cnccn1.
What is the InChIKey of N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide?
The InChIKey is CRSUXMUGKHFROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8(2)10(16)14-5-6-15-11(17)9-7-12-3-4-13-9/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide?
N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide has a molecular weight of 236.28 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropanoylamino)ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 30826771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).