N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide

C20H20N4O2 — CID 169489795

IUPACN-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=CN(c3ccccc3)C3NCNC(=O)C23)c1
InChIInChI=1S/C20H20N4O2/c1-13(25)23-15-7-5-6-14(10-15)17-11-24(16-8-3-2-4-9-16)19-18(17)20(26)22-12-21-19/h2-11,18-19,21H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyMFEAOTATKXMTCT-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.13
Rot. Bonds3

About N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide

N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide (PubChem CID 169489795) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide
PubChem CID169489795
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2=CN(c3ccccc3)C3NCNC(=O)C23)c1
InChIInChI=1S/C20H20N4O2/c1-13(25)23-15-7-5-6-14(10-15)17-11-24(16-8-3-2-4-9-16)19-18(17)20(26)22-12-21-19/h2-11,18-19,21H,12H2,1H3,(H,22,26)(H,23,25)
InChIKeyMFEAOTATKXMTCT-UHFFFAOYSA-N
XLogP2.13
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[7-(3-fluorophenyl)-4-oxo-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 169489801
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
N-[3-(2-oxo-1,3-diazinan-1-yl)phenyl]acetamide
CID 79026340
N-[3-[4-(4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-2-yl)-2-pyridinyl]phenyl]acetamide
CID 59722966
N-[3-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-8-yl)phenyl]acetamide
CID 167958065
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-[3-[(1R,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]acetamide
CID 6544821
N-[3-(2-oxochromen-3-yl)phenyl]acetamide
CID 17102592
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
N-[3-(5-amino-3-methyl-1-phenylpyrazol-4-yl)phenyl]acetamide
CID 50984671
N-[3-[5-(2-fluorophenyl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016631
5-oxo-N-(3-phenylphenyl)pyrrolidine-3-carboxamide
CID 136542533

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide?
The IUPAC name of N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide (CID 169489795) is N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide.
What is the SMILES notation for N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide?
The canonical SMILES for N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide is CC(=O)Nc1cccc(C2=CN(c3ccccc3)C3NCNC(=O)C23)c1.
What is the InChIKey of N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide?
The InChIKey is MFEAOTATKXMTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13(25)23-15-7-5-6-14(10-15)17-11-24(16-8-3-2-4-9-16)19-18(17)20(26)22-12-21-19/h2-11,18-19,21H,12H2,1H3,(H,22,26)(H,23,25).
What are the key properties of N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide?
N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide has a molecular weight of 348.41 g/mol, XLogP of 2.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-oxo-7-phenyl-2,3,4a,7a-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]acetamide is sourced from PubChem (CID 169489795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).