1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide

C22H23N5O2 — CID 30866703

IUPAC1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccncc4)CC3)nn2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-19-4-2-16(3-5-19)20-6-7-21(26-25-20)27-14-10-17(11-15-27)22(28)24-18-8-12-23-13-9-18/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,23,24,28)
InChIKeyIWZMACCVELECQM-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.40
Rot. Bonds5

About 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide

1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 30866703) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID30866703
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide
SMILESCOc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccncc4)CC3)nn2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-19-4-2-16(3-5-19)20-6-7-21(26-25-20)27-14-10-17(11-15-27)22(28)24-18-8-12-23-13-9-18/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,23,24,28)
InChIKeyIWZMACCVELECQM-UHFFFAOYSA-N
XLogP3.40
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide (CID 30866703) is 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide is COc1ccc(-c2ccc(N3CCC(C(=O)Nc4ccncc4)CC3)nn2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is IWZMACCVELECQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-19-4-2-16(3-5-19)20-6-7-21(26-25-20)27-14-10-17(11-15-27)22(28)24-18-8-12-23-13-9-18/h2-9,12-13,17H,10-11,14-15H2,1H3,(H,23,24,28).
What are the key properties of 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide?
1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 30866703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).