4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide

C24H27N5O2 — CID 134799567

IUPAC4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C24H27N5O2/c1-17-3-7-19(8-4-17)26-22-11-14-25-24(28-22)29-15-12-20(13-16-29)27-23(30)18-5-9-21(31-2)10-6-18/h3-11,14,20H,12-13,15-16H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyNXBHOQAKSRBAEH-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.94
Rot. Bonds6

About 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide

4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide (PubChem CID 134799567) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
PubChem CID134799567
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccc(C)cc4)n3)CC2)cc1
InChIInChI=1S/C24H27N5O2/c1-17-3-7-19(8-4-17)26-22-11-14-25-24(28-22)29-15-12-20(13-16-29)27-23(30)18-5-9-21(31-2)10-6-18/h3-11,14,20H,12-13,15-16H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyNXBHOQAKSRBAEH-UHFFFAOYSA-N
XLogP3.94
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide (CID 134799567) is 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(c3nccc(Nc4ccc(C)cc4)n3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide?
The InChIKey is NXBHOQAKSRBAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-3-7-19(8-4-17)26-22-11-14-25-24(28-22)29-15-12-20(13-16-29)27-23(30)18-5-9-21(31-2)10-6-18/h3-11,14,20H,12-13,15-16H2,1-2H3,(H,27,30)(H,25,26,28).
What are the key properties of 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide?
4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide has a molecular weight of 417.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[4-(4-methylanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134799567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).