N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide

C22H24N4O — CID 109280820

IUPACN-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1cnc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C22H24N4O/c1-15(2)18-11-7-8-12-19(18)26-21-14-23-20(13-24-21)22(27)25-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,24,26)(H,25,27)
InChIKeyKTRSRYRTKGRVOG-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.83
Rot. Bonds6

About N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide

N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide (PubChem CID 109280820) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
PubChem CID109280820
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
SMILESCC(C)c1ccccc1Nc1cnc(C(=O)NC(C)c2ccccc2)cn1
InChIInChI=1S/C22H24N4O/c1-15(2)18-11-7-8-12-19(18)26-21-14-23-20(13-24-21)22(27)25-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,24,26)(H,25,27)
InChIKeyKTRSRYRTKGRVOG-UHFFFAOYSA-N
XLogP4.83
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280804
N-(1-phenylethyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109280869
5-(2,4-difluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280871
5-(5-chloro-2-methylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280832
5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827
5-(3-acetylanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280854
N-(2,4-difluorophenyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109291993
5-bromo-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 112520266
N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109287676
5-(2-ethoxyanilino)-N-(2-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109291933
5-(1,3-benzodioxol-5-ylamino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280867
5-(2-bromoanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271317

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The IUPAC name of N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide (CID 109280820) is N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide is CC(C)c1ccccc1Nc1cnc(C(=O)NC(C)c2ccccc2)cn1.
What is the InChIKey of N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
The InChIKey is KTRSRYRTKGRVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(2)18-11-7-8-12-19(18)26-21-14-23-20(13-24-21)22(27)25-16(3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide?
N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 109280820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).