5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

C24H26N4O2 — CID 155540491

IUPAC5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESCN1CCC(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1
InChIInChI=1S/C24H26N4O2/c1-28-13-10-19(11-14-28)20-7-8-23(30-17-18-5-3-2-4-6-18)22(15-20)24(29)27-21-9-12-25-26-16-21/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3,(H,25,27,29)
InChIKeyCDYUJKAZAUMJHC-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.12
Rot. Bonds6

About 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide

5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (PubChem CID 155540491) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.

Molecular Properties

Compound Name5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
PubChem CID155540491
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide
SMILESCN1CCC(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1
InChIInChI=1S/C24H26N4O2/c1-28-13-10-19(11-14-28)20-7-8-23(30-17-18-5-3-2-4-6-18)22(15-20)24(29)27-21-9-12-25-26-16-21/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3,(H,25,27,29)
InChIKeyCDYUJKAZAUMJHC-UHFFFAOYSA-N
XLogP4.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 44571681
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CID 51357233
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CID 67107000
CID 67107000
CID 67107177
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CID 67107333
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CID 67108013
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CID 69936458
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CID 69937003
CID 69937003

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The IUPAC name of 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide (CID 155540491) is 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide.
What is the SMILES notation for 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The canonical SMILES for 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is CN1CCC(c2ccc(OCc3ccccc3)c(C(=O)Nc3ccnnc3)c2)CC1.
What is the InChIKey of 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
The InChIKey is CDYUJKAZAUMJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-28-13-10-19(11-14-28)20-7-8-23(30-17-18-5-3-2-4-6-18)22(15-20)24(29)27-21-9-12-25-26-16-21/h2-9,12,15-16,19H,10-11,13-14,17H2,1H3,(H,25,27,29).
What are the key properties of 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide?
5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide has a molecular weight of 402.50 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpiperidin-4-yl)-2-phenylmethoxy-N-pyridazin-4-ylbenzamide is sourced from PubChem (CID 155540491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).