N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C23H23N5O — CID 109333074

IUPACN-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C(C)C)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C23H23N5O/c1-16(2)28(15-18-9-5-4-6-10-18)22(29)21-13-17(3)25-23(27-21)26-20-12-8-7-11-19(20)14-24/h4-13,16H,15H2,1-3H3,(H,25,26,27)
InChIKeyFVEDYFKMBOVISA-UHFFFAOYSA-N
MW385.47 g/mol
LogP4.45
Rot. Bonds6

About N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109333074) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109333074
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC NameN-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)N(Cc2ccccc2)C(C)C)nc(Nc2ccccc2C#N)n1
InChIInChI=1S/C23H23N5O/c1-16(2)28(15-18-9-5-4-6-10-18)22(29)21-13-17(3)25-23(27-21)26-20-12-8-7-11-19(20)14-24/h4-13,16H,15H2,1-3H3,(H,25,26,27)
InChIKeyFVEDYFKMBOVISA-UHFFFAOYSA-N
XLogP4.45
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-cyanoanilino)-N-(2-cyanophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338178
1-benzyl-3-(2-cyanophenyl)-1-propan-2-ylurea
CID 108990757
2-(2-cyanoanilino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109330790
N-(2-cyanophenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330431
N-(2-cyanophenyl)-2-(2-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109336209
N-benzyl-2-(2-chloroanilino)-N-ethyl-6-methylpyrimidine-4-carboxamide
CID 109329583
2-(2-cyanoanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336942
2-(2-cyanoanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337478
N-benzyl-2-(3-cyanoanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311728
2-[[2-(2-cyanoanilino)-6-methylpyrimidin-4-yl]amino]benzonitrile
CID 112932302
N-benzyl-2-(4-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311710
2-[[6-methyl-2-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112929004

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109333074) is N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)N(Cc2ccccc2)C(C)C)nc(Nc2ccccc2C#N)n1.
What is the InChIKey of N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is FVEDYFKMBOVISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-16(2)28(15-18-9-5-4-6-10-18)22(29)21-13-17(3)25-23(27-21)26-20-12-8-7-11-19(20)14-24/h4-13,16H,15H2,1-3H3,(H,25,26,27).
What are the key properties of N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-cyanoanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109333074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).