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

C24H27N5O3 — CID 134800612

IUPAC4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccc(OC)cc4)CC3)n2)cc1
InChIInChI=1S/C24H27N5O3/c1-31-20-7-3-17(4-8-20)23(30)27-19-12-15-29(16-13-19)24-25-14-11-22(28-24)26-18-5-9-21(32-2)10-6-18/h3-11,14,19H,12-13,15-16H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyJRAALXPKNRISPA-UHFFFAOYSA-N
MW433.51 g/mol
LogP3.64
Rot. Bonds7

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

4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide (PubChem CID 134800612) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
PubChem CID134800612
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide
SMILESCOc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccc(OC)cc4)CC3)n2)cc1
InChIInChI=1S/C24H27N5O3/c1-31-20-7-3-17(4-8-20)23(30)27-19-12-15-29(16-13-19)24-25-14-11-22(28-24)26-18-5-9-21(32-2)10-6-18/h3-11,14,19H,12-13,15-16H2,1-2H3,(H,27,30)(H,25,26,28)
InChIKeyJRAALXPKNRISPA-UHFFFAOYSA-N
XLogP3.64
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide (CID 134800612) is 4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide is COc1ccc(Nc2ccnc(N3CCC(NC(=O)c4ccc(OC)cc4)CC3)n2)cc1.
What is the InChIKey of 4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide?
The InChIKey is JRAALXPKNRISPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-31-20-7-3-17(4-8-20)23(30)27-19-12-15-29(16-13-19)24-25-14-11-22(28-24)26-18-5-9-21(32-2)10-6-18/h3-11,14,19H,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-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide?
4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide has a molecular weight of 433.51 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-[4-(4-methoxyanilino)pyrimidin-2-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134800612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).