N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

C22H21N3O — CID 86939284

IUPACN-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)c2ccnc(C3CC3)n2)cc1
InChIInChI=1S/C22H21N3O/c1-16-7-11-19(12-8-16)25(15-17-5-3-2-4-6-17)22(26)20-13-14-23-21(24-20)18-9-10-18/h2-8,11-14,18H,9-10,15H2,1H3
InChIKeyDOPGTRDVSRHGAQ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.51
Rot. Bonds5

About N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide

N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 86939284) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
PubChem CID86939284
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)c2ccnc(C3CC3)n2)cc1
InChIInChI=1S/C22H21N3O/c1-16-7-11-19(12-8-16)25(15-17-5-3-2-4-6-17)22(26)20-13-14-23-21(24-20)18-9-10-18/h2-8,11-14,18H,9-10,15H2,1H3
InChIKeyDOPGTRDVSRHGAQ-UHFFFAOYSA-N
XLogP4.51
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-methyl-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 30992788
N-(1-benzyl-3-tert-butylpyrazol-5-yl)-2-cyclopropylpyrimidine-4-carboxamide
CID 86939297
2-[benzyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109305037
N-benzyl-N-methyl-2-(4-methylanilino)pyrimidine-4-carboxamide
CID 109305157
N-benzyl-6-(cyclopropylamino)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109360923
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
N-benzyl-N-phenylquinoline-2-carboxamide
CID 2449862
N-benzyl-N-(4-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 55646940
1-benzyl-3-methyl-1-(4-methylphenyl)-3-(pyrazin-2-ylmethyl)urea
CID 75421427
N-ethyl-2-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109314005
N-benzyl-5-methyl-N-(4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 166228127
N-[4-[2-(cyclopropylmethylamino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]benzamide
CID 46052438

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide (CID 86939284) is N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is Cc1ccc(N(Cc2ccccc2)C(=O)c2ccnc(C3CC3)n2)cc1.
What is the InChIKey of N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is DOPGTRDVSRHGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-16-7-11-19(12-8-16)25(15-17-5-3-2-4-6-17)22(26)20-13-14-23-21(24-20)18-9-10-18/h2-8,11-14,18H,9-10,15H2,1H3.
What are the key properties of N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide?
N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-cyclopropyl-N-(4-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 86939284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).