N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide

C21H22N4O2 — CID 7593466

IUPACN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)c4ccco4)cc3)nn2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-10-12-25(13-11-15)20-9-8-18(23-24-20)16-4-6-17(7-5-16)22-21(26)19-3-2-14-27-19/h2-9,14-15H,10-13H2,1H3,(H,22,26)
InChIKeyAGTMUCPKEASPJL-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.23
Rot. Bonds4

About N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide

N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide (PubChem CID 7593466) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
PubChem CID7593466
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide
SMILESCC1CCN(c2ccc(-c3ccc(NC(=O)c4ccco4)cc3)nn2)CC1
InChIInChI=1S/C21H22N4O2/c1-15-10-12-25(13-11-15)20-9-8-18(23-24-20)16-4-6-17(7-5-16)22-21(26)19-3-2-14-27-19/h2-9,14-15H,10-13H2,1H3,(H,22,26)
InChIKeyAGTMUCPKEASPJL-UHFFFAOYSA-N
XLogP4.23
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide (CID 7593466) is N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide is CC1CCN(c2ccc(-c3ccc(NC(=O)c4ccco4)cc3)nn2)CC1.
What is the InChIKey of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide?
The InChIKey is AGTMUCPKEASPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-10-12-25(13-11-15)20-9-8-18(23-24-20)16-4-6-17(7-5-16)22-21(26)19-3-2-14-27-19/h2-9,14-15H,10-13H2,1H3,(H,22,26).
What are the key properties of N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide?
N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 7593466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).