N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

C23H24N4O — CID 50783833

IUPACN-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2cc(Nc3ccc(C(=O)NC4CCCC4)cc3)ncn2)cc1
InChIInChI=1S/C23H24N4O/c1-16-6-8-17(9-7-16)21-14-22(25-15-24-21)26-20-12-10-18(11-13-20)23(28)27-19-4-2-3-5-19/h6-15,19H,2-5H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyTUNKLGVGFJZVRX-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.87
Rot. Bonds5

About N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide

N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (PubChem CID 50783833) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
PubChem CID50783833
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
SMILESCc1ccc(-c2cc(Nc3ccc(C(=O)NC4CCCC4)cc3)ncn2)cc1
InChIInChI=1S/C23H24N4O/c1-16-6-8-17(9-7-16)21-14-22(25-15-24-21)26-20-12-10-18(11-13-20)23(28)27-19-4-2-3-5-19/h6-15,19H,2-5H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyTUNKLGVGFJZVRX-UHFFFAOYSA-N
XLogP4.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-[[6-(4-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 46320738
N-cyclohexyl-4-(4-methyl-2-pyridinyl)benzamide
CID 59672894
N-(4-bromo-3-methylphenyl)-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327362
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-cyclobutyl-4-methylbenzamide
CID 23530676
N-cyclopentyl-4-[[6-(3-methylphenyl)pyridazin-3-yl]amino]benzamide
CID 50776980
4-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 46327284
methyl 4-[[6-(cyclohexylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109342097
N-[(1S,2S)-2-aminocyclohexyl]-4-[[6-(3-aminophenyl)pyrimidin-4-yl]amino]benzamide
CID 69177982
N-tert-butyl-4-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009834
N-[(1R,2R)-2-aminocyclohexyl]-4-[[6-[5-(aminomethyl)-3-pyridinyl]pyrimidin-4-yl]amino]benzamide
CID 68912626
N-[(1R,2R)-2-aminocyclohexyl]-4-[[6-[3-(methanesulfonamido)phenyl]pyrimidin-4-yl]amino]benzamide
CID 91592527

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide (CID 50783833) is N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is Cc1ccc(-c2cc(Nc3ccc(C(=O)NC4CCCC4)cc3)ncn2)cc1.
What is the InChIKey of N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
The InChIKey is TUNKLGVGFJZVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-6-8-17(9-7-16)21-14-22(25-15-24-21)26-20-12-10-18(11-13-20)23(28)27-19-4-2-3-5-19/h6-15,19H,2-5H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide?
N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide has a molecular weight of 372.47 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 50783833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).