4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide

C24H22N4O2 — CID 122308856

IUPAC4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C24H22N4O2/c29-23(10-6-9-19-7-2-1-3-8-19)27-20-11-13-21(14-12-20)30-24-17-22(25-18-26-24)28-15-4-5-16-28/h1-5,7-8,11-18H,6,9-10H2,(H,27,29)
InChIKeyOQAGVQXHOBAKDQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.02
Rot. Bonds8

About 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide

4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide (PubChem CID 122308856) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
PubChem CID122308856
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
SMILESO=C(CCCc1ccccc1)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1
InChIInChI=1S/C24H22N4O2/c29-23(10-6-9-19-7-2-1-3-8-19)27-20-11-13-21(14-12-20)30-24-17-22(25-18-26-24)28-15-4-5-16-28/h1-5,7-8,11-18H,6,9-10H2,(H,27,29)
InChIKeyOQAGVQXHOBAKDQ-UHFFFAOYSA-N
XLogP5.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122309612
2-(2-methoxyphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309055
2-(2-fluorophenoxy)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309011
2-(2,4-difluorophenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309067
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
2,2-diphenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122308873
2-(4-propan-2-ylsulfonylphenyl)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309037
N-[4-[6-(2-methylimidazol-1-yl)pyridazin-3-yl]oxyphenyl]-4-phenylbutanamide
CID 122306542
1-(3-chlorophenyl)-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308884
N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pentanamide
CID 122307637
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122309166
1-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122308965

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide?
The IUPAC name of 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide (CID 122308856) is 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide?
The canonical SMILES for 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide is O=C(CCCc1ccccc1)Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1.
What is the InChIKey of 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide?
The InChIKey is OQAGVQXHOBAKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23(10-6-9-19-7-2-1-3-8-19)27-20-11-13-21(14-12-20)30-24-17-22(25-18-26-24)28-15-4-5-16-28/h1-5,7-8,11-18H,6,9-10H2,(H,27,29).
What are the key properties of 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide?
4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide has a molecular weight of 398.47 g/mol, XLogP of 5.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide is sourced from PubChem (CID 122308856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).