N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide

C18H23N3O2 — CID 12002233

IUPACN-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nccnc2C)cc1CC(C)C
InChIInChI=1S/C18H23N3O2/c1-5-23-16-7-6-15(11-14(16)10-12(2)3)21-18(22)17-13(4)19-8-9-20-17/h6-9,11-12H,5,10H2,1-4H3,(H,21,22)
InChIKeyXZYBHCZACQHELJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.63
Rot. Bonds6

About N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide

N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide (PubChem CID 12002233) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide
PubChem CID12002233
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2nccnc2C)cc1CC(C)C
InChIInChI=1S/C18H23N3O2/c1-5-23-16-7-6-15(11-14(16)10-12(2)3)21-18(22)17-13(4)19-8-9-20-17/h6-9,11-12H,5,10H2,1-4H3,(H,21,22)
InChIKeyXZYBHCZACQHELJ-UHFFFAOYSA-N
XLogP3.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide?
The IUPAC name of N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide (CID 12002233) is N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide is CCOc1ccc(NC(=O)c2nccnc2C)cc1CC(C)C.
What is the InChIKey of N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide?
The InChIKey is XZYBHCZACQHELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-5-23-16-7-6-15(11-14(16)10-12(2)3)21-18(22)17-13(4)19-8-9-20-17/h6-9,11-12H,5,10H2,1-4H3,(H,21,22).
What are the key properties of N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide?
N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(2-methylpropyl)phenyl]-3-methylpyrazine-2-carboxamide is sourced from PubChem (CID 12002233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).