4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

C23H21N5O2 — CID 122309038

IUPAC4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1
InChIInChI=1S/C23H21N5O2/c1-27(2)19-9-5-17(6-10-19)23(29)26-18-7-11-20(12-8-18)30-22-15-21(24-16-25-22)28-13-3-4-14-28/h3-16H,1-2H3,(H,26,29)
InChIKeyZAWPMJIKENBYMY-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.38
Rot. Bonds6

About 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide

4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (PubChem CID 122309038) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
PubChem CID122309038
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
SMILESCN(C)c1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1
InChIInChI=1S/C23H21N5O2/c1-27(2)19-9-5-17(6-10-19)23(29)26-18-7-11-20(12-8-18)30-22-15-21(24-16-25-22)28-13-3-4-14-28/h3-16H,1-2H3,(H,26,29)
InChIKeyZAWPMJIKENBYMY-UHFFFAOYSA-N
XLogP4.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-N-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122312439
4-cyano-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309040
3,5-dinitro-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309180
2,2-diphenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 122308873
4-chloro-N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122311866
3-methoxy-1-methyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]pyrazole-4-carboxamide
CID 122309030
2,4,5-trifluoro-3-methoxy-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309080
1-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122309166
4-iodo-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide
CID 122309931
N-[4-(6-imidazol-1-ylpyrimidin-4-yl)oxyphenyl]-3,5-dimethylbenzamide
CID 122311892
4-(dimethylamino)-N-(4-methoxyphenyl)benzamide
CID 867710
N-[4-(2-methyl-6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]-4-phenoxybenzamide
CID 122309414

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide (CID 122309038) is 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is CN(C)c1ccc(C(=O)Nc2ccc(Oc3cc(-n4cccc4)ncn3)cc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
The InChIKey is ZAWPMJIKENBYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-27(2)19-9-5-17(6-10-19)23(29)26-18-7-11-20(12-8-18)30-22-15-21(24-16-25-22)28-13-3-4-14-28/h3-16H,1-2H3,(H,26,29).
What are the key properties of 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide?
4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide has a molecular weight of 399.45 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]benzamide is sourced from PubChem (CID 122309038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).