3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide

C24H23ClN6O2 — CID 24958770

IUPAC3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide
SMILESCc1cc(C#N)cc(Cl)c1Oc1ccnc(NC2CCN(c3cccc(C(N)=O)c3)CC2)n1
InChIInChI=1S/C24H23ClN6O2/c1-15-11-16(14-26)12-20(25)22(15)33-21-5-8-28-24(30-21)29-18-6-9-31(10-7-18)19-4-2-3-17(13-19)23(27)32/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H2,27,32)(H,28,29,30)
InChIKeyURBRWOCTHYUBBB-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.28
Rot. Bonds6

About 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide

3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide (PubChem CID 24958770) has the molecular formula C24H23ClN6O2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide
PubChem CID24958770
Molecular FormulaC24H23ClN6O2
Molecular Weight462.94 g/mol
Exact Mass462.16
IUPAC Name3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide
SMILESCc1cc(C#N)cc(Cl)c1Oc1ccnc(NC2CCN(c3cccc(C(N)=O)c3)CC2)n1
InChIInChI=1S/C24H23ClN6O2/c1-15-11-16(14-26)12-20(25)22(15)33-21-5-8-28-24(30-21)29-18-6-9-31(10-7-18)19-4-2-3-17(13-19)23(27)32/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H2,27,32)(H,28,29,30)
InChIKeyURBRWOCTHYUBBB-UHFFFAOYSA-N
XLogP4.28
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(4-{[4-(4-Cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide
CID 153078776
3-(4-{[4-(4-Cyano-2,6-dimethylphenoxy)-5-methylpyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 49800153
3-(4-{[4-(2-Chloro-4-cyano-6-methylphenoxy)-5-methylpyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 52942182
N-(4-chlorophenyl)-6-[2-(methylamino)pyrimidin-4-yl]oxynaphthalene-1-carboxamide
CID 24822266
4-[(2-{[1-(3-Cyanophenyl)piperidin-4-yl]amino}pyrimidin-4-yl)oxy]-3,5-dimethylbenzonitrile
CID 24958407
3-(4-{[4-(4-Cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 24958409
3-(4-{[5-Bromo-4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 24958411
3-(4-{[5-Bromo-4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 24958769
3-(4-{[4-(4-Cyano-2,6-dimethylphenoxy)-5-fluoropyrimidin-2-yl]amino}piperidin-1-yl)benzamide
CID 24958771
4-[(4-{[5-Bromo-4-(4-cyano-2,6-dimethylphenoxy)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]-3-chlorobenzamide
CID 24959863
3-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)-pyridin-2-yloxy)phenyl)benzamide
CID 46929546
4-Chloro-N-(3-methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)-pyridin-2-yloxy)phenyl)benzamide
CID 46929642

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide?
The IUPAC name of 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide (CID 24958770) is 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide.
What is the SMILES notation for 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide?
The canonical SMILES for 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide is Cc1cc(C#N)cc(Cl)c1Oc1ccnc(NC2CCN(c3cccc(C(N)=O)c3)CC2)n1.
What is the InChIKey of 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide?
The InChIKey is URBRWOCTHYUBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2/c1-15-11-16(14-26)12-20(25)22(15)33-21-5-8-28-24(30-21)29-18-6-9-31(10-7-18)19-4-2-3-17(13-19)23(27)32/h2-5,8,11-13,18H,6-7,9-10H2,1H3,(H2,27,32)(H,28,29,30).
What are the key properties of 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide?
3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide has a molecular weight of 462.94 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(2-chloro-4-cyano-6-methylphenoxy)pyrimidin-2-yl]amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 24958770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).