5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide

C21H22N4O — CID 109287716

IUPAC5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-16(2)25(15-17-9-5-3-6-10-17)20-14-22-19(13-23-20)21(26)24-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,24,26)
InChIKeyQILYSHYWKVNPKP-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.14
Rot. Bonds6

About 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide

5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide (PubChem CID 109287716) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
PubChem CID109287716
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)c1cnc(C(=O)Nc2ccccc2)cn1
InChIInChI=1S/C21H22N4O/c1-16(2)25(15-17-9-5-3-6-10-17)20-14-22-19(13-23-20)21(26)24-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,24,26)
InChIKeyQILYSHYWKVNPKP-UHFFFAOYSA-N
XLogP4.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[benzyl(propan-2-yl)amino]-N-(3-chloro-2-methylphenyl)pyrazine-2-carboxamide
CID 109287739
5-[benzyl(propan-2-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)pyrazine-2-carboxamide
CID 109287764
5-[benzyl(propan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]pyrazine-2-carboxamide
CID 109282403
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]acetamide
CID 113014989
6-[benzyl(propan-2-yl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109354113
N-(4-acetylphenyl)-6-[benzyl(propan-2-yl)amino]pyrimidine-4-carboxamide
CID 109354129
5-[benzyl(propan-2-yl)amino]-N-butyl-N-methylpyrazine-2-carboxamide
CID 109287711
6-[benzyl(propan-2-yl)amino]-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109354130
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-phenylacetamide
CID 113015015
N-[6-[benzyl(propan-2-yl)amino]-3-pyridinyl]-2-methylpropanamide
CID 113014992
5-(N-methylanilino)-N-phenylpyrazine-2-carboxamide
CID 109289424
5-[benzyl(propan-2-yl)amino]-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109195478

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide?
The IUPAC name of 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide (CID 109287716) is 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide is CC(C)N(Cc1ccccc1)c1cnc(C(=O)Nc2ccccc2)cn1.
What is the InChIKey of 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide?
The InChIKey is QILYSHYWKVNPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16(2)25(15-17-9-5-3-6-10-17)20-14-22-19(13-23-20)21(26)24-18-11-7-4-8-12-18/h3-14,16H,15H2,1-2H3,(H,24,26).
What are the key properties of 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide?
5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(propan-2-yl)amino]-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109287716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).