N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide

C20H20N4O2 — CID 7422382

IUPACN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccco1
InChIInChI=1S/C20H20N4O2/c25-20(18-8-5-13-26-18)21-16-7-4-6-15(14-16)17-9-10-19(23-22-17)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2,(H,21,25)
InChIKeyCFPPQBNOZSYZJV-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.98
Rot. Bonds4

About N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide

N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide (PubChem CID 7422382) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
PubChem CID7422382
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccco1
InChIInChI=1S/C20H20N4O2/c25-20(18-8-5-13-26-18)21-16-7-4-6-15(14-16)17-9-10-19(23-22-17)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2,(H,21,25)
InChIKeyCFPPQBNOZSYZJV-UHFFFAOYSA-N
XLogP3.98
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide (CID 7422382) is N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide is O=C(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccco1.
What is the InChIKey of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide?
The InChIKey is CFPPQBNOZSYZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-20(18-8-5-13-26-18)21-16-7-4-6-15(14-16)17-9-10-19(23-22-17)24-11-2-1-3-12-24/h4-10,13-14H,1-3,11-12H2,(H,21,25).
What are the key properties of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide?
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 7422382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).