3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide

C25H24N4O2 — CID 122309450

IUPAC3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(Oc3cc(-n4cccc4)nc(C)n3)cc2)c1
InChIInChI=1S/C25H24N4O2/c1-18-6-5-7-20(16-18)8-13-24(30)28-21-9-11-22(12-10-21)31-25-17-23(26-19(2)27-25)29-14-3-4-15-29/h3-7,9-12,14-17H,8,13H2,1-2H3,(H,28,30)
InChIKeyIQXRSFNTZVLCCS-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.25
Rot. Bonds7

About 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide

3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide (PubChem CID 122309450) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
PubChem CID122309450
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC Name3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide
SMILESCc1cccc(CCC(=O)Nc2ccc(Oc3cc(-n4cccc4)nc(C)n3)cc2)c1
InChIInChI=1S/C25H24N4O2/c1-18-6-5-7-20(16-18)8-13-24(30)28-21-9-11-22(12-10-21)31-25-17-23(26-19(2)27-25)29-14-3-4-15-29/h3-7,9-12,14-17H,8,13H2,1-2H3,(H,28,30)
InChIKeyIQXRSFNTZVLCCS-UHFFFAOYSA-N
XLogP5.25
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122309445
1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-naphthalen-2-ylurea
CID 122309272
2-methyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309202
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-4-phenoxybenzamide
CID 122309414
4-tert-butyl-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309207
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]naphthalene-2-carboxamide
CID 122309228
3-phenyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122307676
1-(3,4-dimethoxyphenyl)-3-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309542
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]thiophene-3-carboxamide
CID 122309355
1-(2-chlorophenyl)-3-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309284
1-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 122309349
2-(4-methylphenoxy)-N-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122310144

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide?
The IUPAC name of 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide (CID 122309450) is 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide.
What is the SMILES notation for 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide?
The canonical SMILES for 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide is Cc1cccc(CCC(=O)Nc2ccc(Oc3cc(-n4cccc4)nc(C)n3)cc2)c1.
What is the InChIKey of 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide?
The InChIKey is IQXRSFNTZVLCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-18-6-5-7-20(16-18)8-13-24(30)28-21-9-11-22(12-10-21)31-25-17-23(26-19(2)27-25)29-14-3-4-15-29/h3-7,9-12,14-17H,8,13H2,1-2H3,(H,28,30).
What are the key properties of 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide?
3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide has a molecular weight of 412.49 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]propanamide is sourced from PubChem (CID 122309450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).