1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide

C21H27FN4O2 — CID 51238818

IUPAC1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(C)(C)N2CCCCC2)nn1-c1ccccc1F
InChIInChI=1S/C21H27FN4O2/c1-15-13-18(27)19(24-26(15)17-10-6-5-9-16(17)22)20(28)23-14-21(2,3)25-11-7-4-8-12-25/h5-6,9-10,13H,4,7-8,11-12,14H2,1-3H3,(H,23,28)
InChIKeyWMWBYHCYKFAWMS-UHFFFAOYSA-N
MW386.47 g/mol
LogP2.67
Rot. Bonds5

About 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide

1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide (PubChem CID 51238818) has the molecular formula C21H27FN4O2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide
PubChem CID51238818
Molecular FormulaC21H27FN4O2
Molecular Weight386.47 g/mol
Exact Mass386.21
IUPAC Name1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)NCC(C)(C)N2CCCCC2)nn1-c1ccccc1F
InChIInChI=1S/C21H27FN4O2/c1-15-13-18(27)19(24-26(15)17-10-6-5-9-16(17)22)20(28)23-14-21(2,3)25-11-7-4-8-12-25/h5-6,9-10,13H,4,7-8,11-12,14H2,1-3H3,(H,23,28)
InChIKeyWMWBYHCYKFAWMS-UHFFFAOYSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 51238820
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-piperazin-1-ylethyl)pyridazine-3-carboxamide;hydrochloride
CID 119447197
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]pyridazine-3-carboxamide
CID 55545731
1-(2-fluorophenyl)-6-methyl-4-oxo-N-(2-phenylsulfanylethyl)pyridazine-3-carboxamide
CID 8529544
3-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 35611354
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9291779
1-(2-fluorophenyl)-N,6-dimethyl-4-oxo-N-[(2-piperidin-1-ylphenyl)methyl]pyridazine-3-carboxamide
CID 24551624
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 134008651

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide (CID 51238818) is 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)NCC(C)(C)N2CCCCC2)nn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is WMWBYHCYKFAWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O2/c1-15-13-18(27)19(24-26(15)17-10-6-5-9-16(17)22)20(28)23-14-21(2,3)25-11-7-4-8-12-25/h5-6,9-10,13H,4,7-8,11-12,14H2,1-3H3,(H,23,28).
What are the key properties of 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide?
1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-6-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 51238818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).