N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide

C22H24N4O3 — CID 109291979

IUPACN-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3ccccc3C(C)C)cn2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-14(2)16-7-5-6-8-17(16)25-21-13-23-19(12-24-21)22(27)26-18-10-9-15(28-3)11-20(18)29-4/h5-14H,1-4H3,(H,24,25)(H,26,27)
InChIKeyPYKWEZJLXYEHES-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.61
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide

N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide (PubChem CID 109291979) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
PubChem CID109291979
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(Nc3ccccc3C(C)C)cn2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-14(2)16-7-5-6-8-17(16)25-21-13-23-19(12-24-21)22(27)26-18-10-9-15(28-3)11-20(18)29-4/h5-14H,1-4H3,(H,24,25)(H,26,27)
InChIKeyPYKWEZJLXYEHES-UHFFFAOYSA-N
XLogP4.61
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291932
6-(2,4-dimethoxyanilino)-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109163030
N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291993
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
N-(2,4-dimethoxyphenyl)-5-(3-fluoroanilino)pyrazine-2-carboxamide
CID 109293921
5-(3-acetylanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293918
5-(2,4-dimethoxyanilino)-N-(2-methylpropyl)pyrazine-2-carboxamide
CID 109272862
5-(cyclopropylamino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109271885
5-(4-propan-2-yloxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291937
5-(4-cyanoanilino)-N-(2,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109293927
5-(3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 109293523
5-anilino-N-(2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289572

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide (CID 109291979) is N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide is COc1ccc(NC(=O)c2cnc(Nc3ccccc3C(C)C)cn2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The InChIKey is PYKWEZJLXYEHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)16-7-5-6-8-17(16)25-21-13-23-19(12-24-21)22(27)26-18-10-9-15(28-3)11-20(18)29-4/h5-14H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109291979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).