1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide

C21H25FN4O2 — CID 126930618

IUPAC1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCn1nc(N2CCCCC2CNC(=O)C2(c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C21H25FN4O2/c1-25-19(27)10-9-18(24-25)26-13-3-2-4-17(26)14-23-20(28)21(11-12-21)15-5-7-16(22)8-6-15/h5-10,17H,2-4,11-14H2,1H3,(H,23,28)
InChIKeyFTDYCJCZTXBZQY-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.13
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide (PubChem CID 126930618) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide
PubChem CID126930618
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide
SMILESCn1nc(N2CCCCC2CNC(=O)C2(c3ccc(F)cc3)CC2)ccc1=O
InChIInChI=1S/C21H25FN4O2/c1-25-19(27)10-9-18(24-25)26-13-3-2-4-17(26)14-23-20(28)21(11-12-21)15-5-7-16(22)8-6-15/h5-10,17H,2-4,11-14H2,1H3,(H,23,28)
InChIKeyFTDYCJCZTXBZQY-UHFFFAOYSA-N
XLogP2.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
5-methyl-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]thiophene-2-carboxamide
CID 126930659
2-methyl-6-[2-[[(3-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930745
2-methyl-6-[2-[(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930820
7-methoxy-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 126930585
2-(1,2-benzoxazol-3-yl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]acetamide
CID 126930631
2-methyl-6-[2-[[(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126930873
N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]morpholine-4-sulfonamide
CID 126930689
N-[(1-methylpyrrolidin-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 110473133
2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930784
1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
CID 119514550
6-oxo-N-[[1-(6-oxo-1-propan-2-ylpyridazin-3-yl)piperidin-2-yl]methyl]-1H-pyridine-3-carboxamide
CID 126931012

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide (CID 126930618) is 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide is Cn1nc(N2CCCCC2CNC(=O)C2(c3ccc(F)cc3)CC2)ccc1=O.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide?
The InChIKey is FTDYCJCZTXBZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-25-19(27)10-9-18(24-25)26-13-3-2-4-17(26)14-23-20(28)21(11-12-21)15-5-7-16(22)8-6-15/h5-10,17H,2-4,11-14H2,1H3,(H,23,28).
What are the key properties of 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide has a molecular weight of 384.46 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126930618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).