N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide

C22H27FN4O2 — CID 11625442

IUPACN-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C22H27FN4O2/c1-15(2)3-10-21(28)24-19-8-9-20(26-25-19)27-13-11-17(12-14-27)22(29)16-4-6-18(23)7-5-16/h4-9,15,17H,3,10-14H2,1-2H3,(H,24,25,28)
InChIKeyKTRBYRKHKKVQKZ-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.09
Rot. Bonds7

About N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide

N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide (PubChem CID 11625442) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide
PubChem CID11625442
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC NameN-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide
SMILESCC(C)CCC(=O)Nc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C22H27FN4O2/c1-15(2)3-10-21(28)24-19-8-9-20(26-25-19)27-13-11-17(12-14-27)22(29)16-4-6-18(23)7-5-16/h4-9,15,17H,3,10-14H2,1-2H3,(H,24,25,28)
InChIKeyKTRBYRKHKKVQKZ-UHFFFAOYSA-N
XLogP4.09
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide?
The IUPAC name of N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide (CID 11625442) is N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide.
What is the SMILES notation for N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide?
The canonical SMILES for N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide is CC(C)CCC(=O)Nc1ccc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nn1.
What is the InChIKey of N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide?
The InChIKey is KTRBYRKHKKVQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-15(2)3-10-21(28)24-19-8-9-20(26-25-19)27-13-11-17(12-14-27)22(29)16-4-6-18(23)7-5-16/h4-9,15,17H,3,10-14H2,1-2H3,(H,24,25,28).
What are the key properties of N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide?
N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide has a molecular weight of 398.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-fluorobenzoyl)piperidin-1-yl]pyridazin-3-yl]-4-methylpentanamide is sourced from PubChem (CID 11625442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).