ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide

C24H26N4O — CID 164539171

IUPACethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC.Cc1ccc(CC(=O)Nc2ccc(-c3cc4c(C)ncnc4[nH]3)cc2)cc1
InChIInChI=1S/C22H20N4O.C2H6/c1-14-3-5-16(6-4-14)11-21(27)25-18-9-7-17(8-10-18)20-12-19-15(2)23-13-24-22(19)26-20;1-2/h3-10,12-13H,11H2,1-2H3,(H,25,27)(H,23,24,26);1-2H3
InChIKeyQOKJKPUVHLGWSR-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.45
Rot. Bonds4

About ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide

ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide (PubChem CID 164539171) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Nameethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
PubChem CID164539171
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Nameethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
SMILESCC.Cc1ccc(CC(=O)Nc2ccc(-c3cc4c(C)ncnc4[nH]3)cc2)cc1
InChIInChI=1S/C22H20N4O.C2H6/c1-14-3-5-16(6-4-14)11-21(27)25-18-9-7-17(8-10-18)20-12-19-15(2)23-13-24-22(19)26-20;1-2/h3-10,12-13H,11H2,1-2H3,(H,25,27)(H,23,24,26);1-2H3
InChIKeyQOKJKPUVHLGWSR-UHFFFAOYSA-N
XLogP5.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide with MolForge

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Related Compounds

2-[4-[[6-(4-tert-butylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]-N-(3-fluorophenyl)acetamide
CID 162670218
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
N-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 43152378
N-(4-fluorophenyl)-2-(4-methylphenyl)acetamide
CID 889367
2-(4-aminophenyl)-N-(4-methylphenyl)acetamide
CID 16782162
2-(3,4-dimethylphenyl)-N-(4-methylphenyl)acetamide
CID 2664751
N-[4-(1H-imidazol-2-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 110726544
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
2-(5-tert-butylpyrazin-2-yl)-N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 171431506
2-(4-methylphenyl)-N-[4-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110720232
(E)-4-(dimethylamino)-N-[2-methyl-4-[2-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)anilino]-2-oxoethyl]phenyl]but-2-enamide
CID 154988974
8-[4-[4-(N-ethylanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]anilino]-8-oxooctanoic acid
CID 69164345

Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The IUPAC name of ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide (CID 164539171) is ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide.
What is the SMILES notation for ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The canonical SMILES for ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide is CC.Cc1ccc(CC(=O)Nc2ccc(-c3cc4c(C)ncnc4[nH]3)cc2)cc1.
What is the InChIKey of ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
The InChIKey is QOKJKPUVHLGWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O.C2H6/c1-14-3-5-16(6-4-14)11-21(27)25-18-9-7-17(8-10-18)20-12-19-15(2)23-13-24-22(19)26-20;1-2/h3-10,12-13H,11H2,1-2H3,(H,25,27)(H,23,24,26);1-2H3.
What are the key properties of ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide?
ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 5.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide is sourced from PubChem (CID 164539171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).