N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide

C7H9N3O2 — CID 112530590

IUPACN,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C7H9N3O2/c1-10(2)7(12)5-3-9-6(11)4-8-5/h3-4H,1-2H3,(H,9,11)
InChIKeyKVRXJXSNXRFCTA-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.53
Rot. Bonds1

About N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide

N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 112530590) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID112530590
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC NameN,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide
SMILESCN(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C7H9N3O2/c1-10(2)7(12)5-3-9-6(11)4-8-5/h3-4H,1-2H3,(H,9,11)
InChIKeyKVRXJXSNXRFCTA-UHFFFAOYSA-N
XLogP-0.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide (CID 112530590) is N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide is CN(C)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is KVRXJXSNXRFCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-10(2)7(12)5-3-9-6(11)4-8-5/h3-4H,1-2H3,(H,9,11).
What are the key properties of N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide?
N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 167.17 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 112530590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).