1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea

C21H22N4O — CID 75421427

IUPAC1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea
SMILESCc1ccc(N(Cc2ccccc2)C(=O)N(C)Cc2cnccn2)cc1
InChIInChI=1S/C21H22N4O/c1-17-8-10-20(11-9-17)25(15-18-6-4-3-5-7-18)21(26)24(2)16-19-14-22-12-13-23-19/h3-14H,15-16H2,1-2H3
InChIKeyJQNWJHZYPMQZDN-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.04
Rot. Bonds5

About 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea

1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea (PubChem CID 75421427) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea
PubChem CID75421427
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea
SMILESCc1ccc(N(Cc2ccccc2)C(=O)N(C)Cc2cnccn2)cc1
InChIInChI=1S/C21H22N4O/c1-17-8-10-20(11-9-17)25(15-18-6-4-3-5-7-18)21(26)24(2)16-19-14-22-12-13-23-19/h3-14H,15-16H2,1-2H3
InChIKeyJQNWJHZYPMQZDN-UHFFFAOYSA-N
XLogP4.04
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360399
N-benzyl-1-phenyl-N-(pyrazin-2-ylmethyl)methanamine
CID 97356016
N'-methyl-N-(4-methylphenyl)-N'-(pyrazin-2-ylmethyl)propanediamide
CID 50983286
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
3-(1,3-dioxoisoindol-2-yl)-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 110360430
N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 86939284
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-benzyl-N-phenylpyridine-3-carboxamide;hydrochloride
CID 110756627
benzyl-(5-methyl-2-pyridinyl)carbamothioic S-acid
CID 88786150
4-(4-methylphenyl)-4-oxo-N-phenyl-N-(pyridin-3-ylmethyl)butanamide
CID 110618743
N-(furan-2-ylmethyl)-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 18192896

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea?
The IUPAC name of 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea (CID 75421427) is 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea.
What is the SMILES notation for 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea?
The canonical SMILES for 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea is Cc1ccc(N(Cc2ccccc2)C(=O)N(C)Cc2cnccn2)cc1.
What is the InChIKey of 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea?
The InChIKey is JQNWJHZYPMQZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-17-8-10-20(11-9-17)25(15-18-6-4-3-5-7-18)21(26)24(2)16-19-14-22-12-13-23-19/h3-14H,15-16H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea?
1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea has a molecular weight of 346.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea is sourced from PubChem (CID 75421427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).