N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide

C16H19N3O2 — CID 110792705

IUPACN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cnccn2)cc1C(C)C
InChIInChI=1S/C16H19N3O2/c1-10(2)12-8-13(11(3)7-15(12)21-4)19-16(20)14-9-17-5-6-18-14/h5-10H,1-4H3,(H,19,20)
InChIKeyVDXHRBIWSNRCCY-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.17
Rot. Bonds4

About N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide

N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide (PubChem CID 110792705) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
PubChem CID110792705
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cnccn2)cc1C(C)C
InChIInChI=1S/C16H19N3O2/c1-10(2)12-8-13(11(3)7-15(12)21-4)19-16(20)14-9-17-5-6-18-14/h5-10H,1-4H3,(H,19,20)
InChIKeyVDXHRBIWSNRCCY-UHFFFAOYSA-N
XLogP3.17
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4,5-trimethylphenyl)pyrazine-2-carboxamide
CID 110792925
N-(4-hydroxy-2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 136762067
4-amino-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 5268895
N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 803312
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-sulfanylpropanamide
CID 115167626
N-[5-(propan-2-ylcarbamoyl)-1H-pyrazol-4-yl]pyrazine-2-carboxamide
CID 69379543
methyl 4-chloro-3-(pyrazine-2-carbonylamino)benzoate
CID 18084339
N-(2-chloro-5-methyl-3-pyridinyl)pyrazine-2-carboxamide
CID 102979687
N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 694797
N-(2,5-diethoxyphenyl)pyrazine-2-carboxamide
CID 862102
ethane;N-propan-2-ylpyrazine-2-carboxamide
CID 143147775
N'-(2,4,5-trimethoxybenzoyl)pyrazine-2-carbohydrazide
CID 42016001

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide?
The IUPAC name of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide (CID 110792705) is N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide is COc1cc(C)c(NC(=O)c2cnccn2)cc1C(C)C.
What is the InChIKey of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide?
The InChIKey is VDXHRBIWSNRCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10(2)12-8-13(11(3)7-15(12)21-4)19-16(20)14-9-17-5-6-18-14/h5-10H,1-4H3,(H,19,20).
What are the key properties of N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide?
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 110792705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).