N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide

C29H35N5O2 — CID 172630202

IUPACN-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1)C1CCNCC1
InChIInChI=1S/C29H35N5O2/c1-2-34(23-12-16-30-17-13-23)28(36)29(22-8-4-3-5-9-22)14-18-33(19-15-29)24-20-26(32-31-21-24)25-10-6-7-11-27(25)35/h3-11,20-21,23,30,35H,2,12-19H2,1H3
InChIKeyMYWFSCHZOCWCKK-UHFFFAOYSA-N
MW485.63 g/mol
LogP3.99
Rot. Bonds6

About N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide

N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide (PubChem CID 172630202) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide
PubChem CID172630202
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC NameN-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide
SMILESCCN(C(=O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1)C1CCNCC1
InChIInChI=1S/C29H35N5O2/c1-2-34(23-12-16-30-17-13-23)28(36)29(22-8-4-3-5-9-22)14-18-33(19-15-29)24-20-26(32-31-21-24)25-10-6-7-11-27(25)35/h3-11,20-21,23,30,35H,2,12-19H2,1H3
InChIKeyMYWFSCHZOCWCKK-UHFFFAOYSA-N
XLogP3.99
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide (CID 172630202) is N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide is CCN(C(=O)C1(c2ccccc2)CCN(c2cnnc(-c3ccccc3O)c2)CC1)C1CCNCC1.
What is the InChIKey of N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide?
The InChIKey is MYWFSCHZOCWCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-2-34(23-12-16-30-17-13-23)28(36)29(22-8-4-3-5-9-22)14-18-33(19-15-29)24-20-26(32-31-21-24)25-10-6-7-11-27(25)35/h3-11,20-21,23,30,35H,2,12-19H2,1H3.
What are the key properties of N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide?
N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenyl-N-piperidin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 172630202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).