N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide

C22H19N5O2 — CID 58327692

IUPACN-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc3c2c(C(=O)c2ccccc2)cn3C)c1
InChIInChI=1S/C22H19N5O2/c1-14(28)25-16-9-6-10-17(11-16)26-21-19-18(12-27(2)22(19)24-13-23-21)20(29)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyPEUIAPHZWZFEPR-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.90
Rot. Bonds5

About N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide

N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 58327692) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID58327692
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC NameN-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc3c2c(C(=O)c2ccccc2)cn3C)c1
InChIInChI=1S/C22H19N5O2/c1-14(28)25-16-9-6-10-17(11-16)26-21-19-18(12-27(2)22(19)24-13-23-21)20(29)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,25,28)(H,23,24,26)
InChIKeyPEUIAPHZWZFEPR-UHFFFAOYSA-N
XLogP3.90
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide with MolForge

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Related Compounds

1-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenylurea
CID 67219113
1-(4-acetylphenyl)-3-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]urea
CID 67219021
1-[3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]-3-phenylurea
CID 58327711
N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
[4-(3-aminoanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-phenylmethanone
CID 53258567
N-[3-[[5-(naphthalene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 58327718
1-[3-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 22547424
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866710
N-[3-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011857
3-[(5-benzoyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzaldehyde
CID 58327778
N-[3-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 171352810
N-[5-(3-acetamidoanilino)-2-pyridinyl]benzamide
CID 113035126

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide (CID 58327692) is N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc3c2c(C(=O)c2ccccc2)cn3C)c1.
What is the InChIKey of N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is PEUIAPHZWZFEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-14(28)25-16-9-6-10-17(11-16)26-21-19-18(12-27(2)22(19)24-13-23-21)20(29)15-7-4-3-5-8-15/h3-13H,1-2H3,(H,25,28)(H,23,24,26).
What are the key properties of N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide?
N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 385.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-benzoyl-7-methylpyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 58327692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).