4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide

C32H33N3O4 — CID 118063265

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cn4)cc3)ccc2OC)c1
InChIInChI=1S/C32H33N3O4/c1-35-17-15-26(16-18-35)39-28-12-13-30(33-21-28)22-7-10-25(11-8-22)34-32(36)24-9-14-31(38-3)29(20-24)23-5-4-6-27(19-23)37-2/h4-14,19-21,26H,15-18H2,1-3H3,(H,34,36)
InChIKeyDBXLLGCHSBZSQS-UHFFFAOYSA-N
MW523.63 g/mol
LogP6.16
Rot. Bonds8

About 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide

4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide (PubChem CID 118063265) has the molecular formula C32H33N3O4 and a molecular weight of 523.63 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide
PubChem CID118063265
Molecular FormulaC32H33N3O4
Molecular Weight523.63 g/mol
Exact Mass523.25
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cn4)cc3)ccc2OC)c1
InChIInChI=1S/C32H33N3O4/c1-35-17-15-26(16-18-35)39-28-12-13-30(33-21-28)22-7-10-25(11-8-22)34-32(36)24-9-14-31(38-3)29(20-24)23-5-4-6-27(19-23)37-2/h4-14,19-21,26H,15-18H2,1-3H3,(H,34,36)
InChIKeyDBXLLGCHSBZSQS-UHFFFAOYSA-N
XLogP6.16
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.63
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide (CID 118063265) is 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide is COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OC5CCN(C)CC5)cn4)cc3)ccc2OC)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide?
The InChIKey is DBXLLGCHSBZSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N3O4/c1-35-17-15-26(16-18-35)39-28-12-13-30(33-21-28)22-7-10-25(11-8-22)34-32(36)24-9-14-31(38-3)29(20-24)23-5-4-6-27(19-23)37-2/h4-14,19-21,26H,15-18H2,1-3H3,(H,34,36).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide has a molecular weight of 523.63 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxyphenyl)-N-[4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]phenyl]benzamide is sourced from PubChem (CID 118063265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).