N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide

C24H22N4O2 — CID 72724708

IUPACN-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccoc1
InChIInChI=1S/C24H22N4O2/c1-15-5-4-6-16(2)21(15)27-23(29)18-7-9-20(10-8-18)26-24-25-13-17(3)22(28-24)19-11-12-30-14-19/h4-14H,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyXCMPDVZAQSLJCQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.66
Rot. Bonds5

About N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide

N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide (PubChem CID 72724708) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide
PubChem CID72724708
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide
SMILESCc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccoc1
InChIInChI=1S/C24H22N4O2/c1-15-5-4-6-16(2)21(15)27-23(29)18-7-9-20(10-8-18)26-24-25-13-17(3)22(28-24)19-11-12-30-14-19/h4-14H,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyXCMPDVZAQSLJCQ-UHFFFAOYSA-N
XLogP5.66
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide (CID 72724708) is N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide is Cc1cnc(Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)nc1-c1ccoc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide?
The InChIKey is XCMPDVZAQSLJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15-5-4-6-16(2)21(15)27-23(29)18-7-9-20(10-8-18)26-24-25-13-17(3)22(28-24)19-11-12-30-14-19/h4-14H,1-3H3,(H,27,29)(H,25,26,28).
What are the key properties of N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide?
N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide has a molecular weight of 398.47 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-4-[[4-(furan-3-yl)-5-methylpyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 72724708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).