4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide

C24H21N5O2 — CID 91345403

IUPAC4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(N(c3cccnc3)c3ncccn3)c2)cc1
InChIInChI=1S/C24H21N5O2/c1-17-6-9-19(28-23(30)18-7-10-21(31-2)11-8-18)15-22(17)29(20-5-3-12-25-16-20)24-26-13-4-14-27-24/h3-16H,1-2H3,(H,28,30)
InChIKeyAOIPVHXFIFAAPT-UHFFFAOYSA-N
MW411.47 g/mol
LogP4.91
Rot. Bonds6

About 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide

4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide (PubChem CID 91345403) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
PubChem CID91345403
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC Name4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(C)c(N(c3cccnc3)c3ncccn3)c2)cc1
InChIInChI=1S/C24H21N5O2/c1-17-6-9-19(28-23(30)18-7-10-21(31-2)11-8-18)15-22(17)29(20-5-3-12-25-16-20)24-26-13-4-14-27-24/h3-16H,1-2H3,(H,28,30)
InChIKeyAOIPVHXFIFAAPT-UHFFFAOYSA-N
XLogP4.91
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-cyano-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 90975306
4-(diethylaminomethyl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide
CID 91073023
4-cyano-N-[3-[di(pyrimidin-2-yl)amino]-4-methylphenyl]benzamide
CID 91482940
2-(4-methylpiperazin-1-yl)-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]acetamide
CID 91095968
3-bromo-N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 91248668
[4-[[4-methyl-3-[4-pyridin-3-yl-N-(1,3-thiazol-2-yl)anilino]phenyl]carbamoyl]phenyl] thiophene-2-sulfonate
CID 87813326
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
N-(4-methoxyphenyl)isoquinoline-6-carboxamide
CID 110485186
N-[4-methyl-3-[pyridin-3-yl(1,3-thiazol-2-yl)amino]phenyl]-4-(piperidin-1-ylmethyl)benzamide
CID 91153862
5-[(4-ethoxybenzoyl)amino]-2-methyl-N-pyridin-3-ylbenzamide
CID 68847824
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
5-N-(3,4-dimethylphenyl)-3-N-(4-methoxyphenyl)pyridine-3,5-dicarboxamide
CID 109108317

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide (CID 91345403) is 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(C)c(N(c3cccnc3)c3ncccn3)c2)cc1.
What is the InChIKey of 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
The InChIKey is AOIPVHXFIFAAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c1-17-6-9-19(28-23(30)18-7-10-21(31-2)11-8-18)15-22(17)29(20-5-3-12-25-16-20)24-26-13-4-14-27-24/h3-16H,1-2H3,(H,28,30).
What are the key properties of 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide?
4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide has a molecular weight of 411.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-methyl-3-[pyridin-3-yl(pyrimidin-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 91345403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).