2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide

C24H21N5O — CID 58396513

IUPAC2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide
SMILESCc1ccc(CC(=O)Nc2ccccc2)cc1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C24H21N5O/c1-17-9-10-18(15-23(30)28-19-6-3-2-4-7-19)14-22(17)29-24-20(8-5-12-26-24)21-11-13-25-16-27-21/h2-14,16H,15H2,1H3,(H,26,29)(H,28,30)
InChIKeyUAGKRSOZCPPONH-UHFFFAOYSA-N
MW395.47 g/mol
LogP4.77
Rot. Bonds6

About 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide

2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide (PubChem CID 58396513) has the molecular formula C24H21N5O and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide
PubChem CID58396513
Molecular FormulaC24H21N5O
Molecular Weight395.47 g/mol
Exact Mass395.17
IUPAC Name2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide
SMILESCc1ccc(CC(=O)Nc2ccccc2)cc1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C24H21N5O/c1-17-9-10-18(15-23(30)28-19-6-3-2-4-7-19)14-22(17)29-24-20(8-5-12-26-24)21-11-13-25-16-27-21/h2-14,16H,15H2,1H3,(H,26,29)(H,28,30)
InChIKeyUAGKRSOZCPPONH-UHFFFAOYSA-N
XLogP4.77
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide 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

N-(3-hydroxy-2,2-dimethylpropyl)-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 11661113
dimethyl-[3-[3-[[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzoyl]amino]-5-(trifluoromethyl)phenyl]propyl]azanium
CID 24916922
N-[4-fluoro-3-(morpholin-4-ylmethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 58588361
N-[3-methoxy-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 11662975
2,3-dichloro-N-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]benzenesulfonamide
CID 58588303
4-fluoro-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzoic acid
CID 66970398
1-N-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-4-methyl-3-N-(3-pyrimidin-4-yl-2-pyridinyl)benzene-1,3-diamine
CID 143140213
3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 58587779
4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]-N-[3-(pyrrolidin-2-ylmethoxy)-5-(trifluoromethyl)phenyl]benzamide
CID 76824396
2-(2-methylanilino)-N-phenylpyridine-3-carboxamide
CID 23632378
N-[3-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]benzamide
CID 58587769
N-[3-[[3-(6-aminopyrimidin-4-yl)-2-pyridinyl]amino]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 24742866

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide?
The IUPAC name of 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide (CID 58396513) is 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide?
The canonical SMILES for 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide is Cc1ccc(CC(=O)Nc2ccccc2)cc1Nc1ncccc1-c1ccncn1.
What is the InChIKey of 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide?
The InChIKey is UAGKRSOZCPPONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O/c1-17-9-10-18(15-23(30)28-19-6-3-2-4-7-19)14-22(17)29-24-20(8-5-12-26-24)21-11-13-25-16-27-21/h2-14,16H,15H2,1H3,(H,26,29)(H,28,30).
What are the key properties of 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide?
2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide has a molecular weight of 395.47 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-[(3-pyrimidin-4-yl-2-pyridinyl)amino]phenyl]-N-phenylacetamide is sourced from PubChem (CID 58396513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).