N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide

C13H19N3O2 — CID 58949435

IUPACN-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1nccn(CC2CC2)c1=O
InChIInChI=1S/C13H19N3O2/c1-13(2,3)15-11(17)10-12(18)16(7-6-14-10)8-9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyZRJRNIDSIZNKLN-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.18
Rot. Bonds3

About N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide

N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide (PubChem CID 58949435) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide
PubChem CID58949435
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1nccn(CC2CC2)c1=O
InChIInChI=1S/C13H19N3O2/c1-13(2,3)15-11(17)10-12(18)16(7-6-14-10)8-9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyZRJRNIDSIZNKLN-UHFFFAOYSA-N
XLogP1.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide (CID 58949435) is N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide is CC(C)(C)NC(=O)c1nccn(CC2CC2)c1=O.
What is the InChIKey of N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide?
The InChIKey is ZRJRNIDSIZNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)15-11(17)10-12(18)16(7-6-14-10)8-9-4-5-9/h6-7,9H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide?
N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(cyclopropylmethyl)-3-oxopyrazine-2-carboxamide is sourced from PubChem (CID 58949435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).