3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide

C15H17N3O2 — CID 155958545

IUPAC3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide
SMILESCC(C)c1cccc(COc2nccnc2C(N)=O)c1
InChIInChI=1S/C15H17N3O2/c1-10(2)12-5-3-4-11(8-12)9-20-15-13(14(16)19)17-6-7-18-15/h3-8,10H,9H2,1-2H3,(H2,16,19)
InChIKeyBEBJFCZAELZLDL-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.28
Rot. Bonds5

About 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide

3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide (PubChem CID 155958545) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide
PubChem CID155958545
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide
SMILESCC(C)c1cccc(COc2nccnc2C(N)=O)c1
InChIInChI=1S/C15H17N3O2/c1-10(2)12-5-3-4-11(8-12)9-20-15-13(14(16)19)17-6-7-18-15/h3-8,10H,9H2,1-2H3,(H2,16,19)
InChIKeyBEBJFCZAELZLDL-UHFFFAOYSA-N
XLogP2.28
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(hydroperoxymethyl)-3-propan-2-ylbenzene
CID 86217956
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
3-methoxypyrazine-2-carboxamide
CID 12571039
3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62683543
2-[(3-propan-2-ylphenyl)methoxycarbonylamino]ethanesulfonic acid
CID 90058831
1-(methylperoxymethyl)-3-propan-2-ylbenzene
CID 21360564
4-[(3-propan-2-ylphenoxy)methyl]pyridin-2-amine
CID 62464940
(3-propan-2-ylphenyl)methanamine
CID 21085835
(3-propan-2-ylphenyl)methyl N-(4-aminobutyl)carbamate
CID 90058854
ethyl 3-(3-propan-2-ylphenyl)propanoate
CID 59134593
4-[4-[[3-(difluoromethyl)phenoxy]methyl]-2-pyridinyl]-2-methylbenzamide
CID 166793682
4-[(3-propan-2-ylphenoxy)methyl]pyridine-2-carboximidamide
CID 63882440

Frequently Asked Questions

What is the IUPAC name of 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide?
The IUPAC name of 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide (CID 155958545) is 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide?
The canonical SMILES for 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide is CC(C)c1cccc(COc2nccnc2C(N)=O)c1.
What is the InChIKey of 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide?
The InChIKey is BEBJFCZAELZLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10(2)12-5-3-4-11(8-12)9-20-15-13(14(16)19)17-6-7-18-15/h3-8,10H,9H2,1-2H3,(H2,16,19).
What are the key properties of 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide?
3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-propan-2-ylphenyl)methoxy]pyrazine-2-carboxamide is sourced from PubChem (CID 155958545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).