N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide

C19H22FN3O2 — CID 42161900

IUPACN-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1)C1CCCCC1
InChIInChI=1S/C19H22FN3O2/c1-22(16-8-3-2-4-9-16)19(25)17-10-11-18(24)23(21-17)13-14-6-5-7-15(20)12-14/h5-7,10-12,16H,2-4,8-9,13H2,1H3
InChIKeyJBINEBHFDWVXCN-UHFFFAOYSA-N
MW343.40 g/mol
LogP2.84
Rot. Bonds4

About N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide

N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 42161900) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
PubChem CID42161900
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
SMILESCN(C(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1)C1CCCCC1
InChIInChI=1S/C19H22FN3O2/c1-22(16-8-3-2-4-9-16)19(25)17-10-11-18(24)23(21-17)13-14-6-5-7-15(20)12-14/h5-7,10-12,16H,2-4,8-9,13H2,1H3
InChIKeyJBINEBHFDWVXCN-UHFFFAOYSA-N
XLogP2.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide (CID 42161900) is N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide is CN(C(=O)c1ccc(=O)n(Cc2cccc(F)c2)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is JBINEBHFDWVXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-22(16-8-3-2-4-9-16)19(25)17-10-11-18(24)23(21-17)13-14-6-5-7-15(20)12-14/h5-7,10-12,16H,2-4,8-9,13H2,1H3.
What are the key properties of N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide?
N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(3-fluorophenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 42161900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).