N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide

C23H26N4O2 — CID 109282799

IUPACN-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C23H26N4O2/c1-4-27(16-18-8-6-5-7-9-18)23(28)21-14-25-22(15-24-21)26-19-10-12-20(13-11-19)29-17(2)3/h5-15,17H,4,16H2,1-3H3,(H,25,26)
InChIKeyWDTYZSSRVYPEFT-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.67
Rot. Bonds8

About N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide

N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide (PubChem CID 109282799) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
PubChem CID109282799
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(OC(C)C)cc2)cn1
InChIInChI=1S/C23H26N4O2/c1-4-27(16-18-8-6-5-7-9-18)23(28)21-14-25-22(15-24-21)26-19-10-12-20(13-11-19)29-17(2)3/h5-15,17H,4,16H2,1-3H3,(H,25,26)
InChIKeyWDTYZSSRVYPEFT-UHFFFAOYSA-N
XLogP4.67
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-N-methyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109281113
N-benzyl-5-(3-chloro-4-methoxyanilino)-N-ethylpyrazine-2-carboxamide
CID 109282790
methyl 3-[[5-[benzyl(ethyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109282808
N-benzyl-5-(4-ethoxyanilino)-N-ethylpyridine-2-carboxamide
CID 109190758
N-benzyl-N-ethyl-5-(2,4,6-trimethylanilino)pyrazine-2-carboxamide
CID 109282777
N-(2-ethylphenyl)-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide
CID 109291492
N-benzyl-5-(4-ethylanilino)-N-methylpyrazine-2-carboxamide
CID 109281082
N-benzyl-5-(butylamino)-N-ethylpyrazine-2-carboxamide
CID 109272566
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-N-methyl-5-(4-methylanilino)pyrazine-2-carboxamide
CID 109281071
N-benzyl-N-ethyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-2-carboxamide
CID 109190788
N-benzyl-5-(4-chloroanilino)-N-methylpyrazine-2-carboxamide
CID 109281096

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide (CID 109282799) is N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide is CCN(Cc1ccccc1)C(=O)c1cnc(Nc2ccc(OC(C)C)cc2)cn1.
What is the InChIKey of N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide?
The InChIKey is WDTYZSSRVYPEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-4-27(16-18-8-6-5-7-9-18)23(28)21-14-25-22(15-24-21)26-19-10-12-20(13-11-19)29-17(2)3/h5-15,17H,4,16H2,1-3H3,(H,25,26).
What are the key properties of N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide?
N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-5-(4-propan-2-yloxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109282799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).