N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

C18H23FN4O2 — CID 119666920

IUPACN-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C18H23FN4O2/c1-3-4-7-13(11-20)21-18(25)17-16(24)10-12(2)23(22-17)15-9-6-5-8-14(15)19/h5-6,8-10,13H,3-4,7,11,20H2,1-2H3,(H,21,25)
InChIKeyHSUOVHZSPUIPGK-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.93
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide

N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 119666920) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
PubChem CID119666920
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC NameN-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
SMILESCCCCC(CN)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O
InChIInChI=1S/C18H23FN4O2/c1-3-4-7-13(11-20)21-18(25)17-16(24)10-12(2)23(22-17)15-9-6-5-8-14(15)19/h5-6,8-10,13H,3-4,7,11,20H2,1-2H3,(H,21,25)
InChIKeyHSUOVHZSPUIPGK-UHFFFAOYSA-N
XLogP1.93
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminohexan-2-yl)-6-methyl-1-(2-nitrophenyl)-4-oxopyridazine-3-carboxamide;hydrochloride
CID 119665456
1-(2-fluorophenyl)-6-methyl-N-(3-methylbutyl)-4-oxopyridazine-3-carboxamide
CID 26689309
N-[(2R)-1-amino-5,5-dimethyl-1-oxohexan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 100699636
(2S)-2-[[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119360996
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]pyridazine-3-carboxamide
CID 9092438
1-(2-fluorophenyl)-6-methyl-N-[2-(methylamino)propyl]-4-oxopyridazine-3-carboxamide
CID 120827965
N-(1-amino-4-methylpentan-2-yl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 119585463
N-[4-(4-bromophenyl)butan-2-yl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 60566439
1-(2-fluorophenyl)-6-methyl-4-oxo-N-[(1R)-1-pyridin-4-ylethyl]pyridazine-3-carboxamide
CID 51924968
N-(1-amino-4-methylpentan-2-yl)-6-methyl-4-oxo-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide;hydrochloride
CID 119585462
1-(2-fluorophenyl)-6-methyl-4-oxo-N-prop-2-enylpyridazine-3-carboxamide
CID 9076740
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 119598982

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide (CID 119666920) is N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is CCCCC(CN)NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is HSUOVHZSPUIPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-3-4-7-13(11-20)21-18(25)17-16(24)10-12(2)23(22-17)15-9-6-5-8-14(15)19/h5-6,8-10,13H,3-4,7,11,20H2,1-2H3,(H,21,25).
What are the key properties of N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide?
N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 119666920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).