N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

C20H24F2N4O2 — CID 53202223

IUPACN-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCc3cc(F)ccc3F)CC2)cc1=O
InChIInChI=1S/C20H24F2N4O2/c1-2-7-26-19(27)11-17(13-24-26)25-8-5-14(6-9-25)20(28)23-12-15-10-16(21)3-4-18(15)22/h3-4,10-11,13-14H,2,5-9,12H2,1H3,(H,23,28)
InChIKeyVMKXUKNGOKSUAV-UHFFFAOYSA-N
MW390.43 g/mol
LogP2.46
Rot. Bonds6

About N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide

N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (PubChem CID 53202223) has the molecular formula C20H24F2N4O2 and a molecular weight of 390.43 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
PubChem CID53202223
Molecular FormulaC20H24F2N4O2
Molecular Weight390.43 g/mol
Exact Mass390.19
IUPAC NameN-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
SMILESCCCn1ncc(N2CCC(C(=O)NCc3cc(F)ccc3F)CC2)cc1=O
InChIInChI=1S/C20H24F2N4O2/c1-2-7-26-19(27)11-17(13-24-26)25-8-5-14(6-9-25)20(28)23-12-15-10-16(21)3-4-18(15)22/h3-4,10-11,13-14H,2,5-9,12H2,1H3,(H,23,28)
InChIKeyVMKXUKNGOKSUAV-UHFFFAOYSA-N
XLogP2.46
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(2,5-difluorophenyl)methyl]piperidine-3-carboxamide
CID 95115899
2-propyl-5-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 53202211
1-(1-methyl-6-oxopyridazin-4-yl)-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 53202097
N-(4-ethoxyphenyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202195
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-chlorophenyl)methyl]piperidine-4-carboxamide
CID 53202309
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 53202295
1-(1-benzyl-6-oxopyridazin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53202240
(6R)-N-[(2,5-difluorophenyl)methyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-6-carboxamide
CID 95111936
3-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550760
1-(1-benzyl-6-oxopyridazin-4-yl)-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 53202280
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
1-(5-bromo-3-pyridinyl)-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 133318639

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide (CID 53202223) is N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is CCCn1ncc(N2CCC(C(=O)NCc3cc(F)ccc3F)CC2)cc1=O.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
The InChIKey is VMKXUKNGOKSUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2/c1-2-7-26-19(27)11-17(13-24-26)25-8-5-14(6-9-25)20(28)23-12-15-10-16(21)3-4-18(15)22/h3-4,10-11,13-14H,2,5-9,12H2,1H3,(H,23,28).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide?
N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide has a molecular weight of 390.43 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53202223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).