4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide

C19H20FN5O2 — CID 154662305

IUPAC4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(Cc3ccc(F)c(C#N)c3)CC2)ccc1=O
InChIInChI=1S/C19H20FN5O2/c1-24-18(26)5-4-17(23-24)22-19(27)25-8-6-13(7-9-25)10-14-2-3-16(20)15(11-14)12-21/h2-5,11,13H,6-10H2,1H3,(H,22,23,27)
InChIKeyLLRIHMULNBSKDJ-UHFFFAOYSA-N
MW369.40 g/mol
LogP2.28
Rot. Bonds3

About 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide

4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 154662305) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
PubChem CID154662305
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC Name4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(Cc3ccc(F)c(C#N)c3)CC2)ccc1=O
InChIInChI=1S/C19H20FN5O2/c1-24-18(26)5-4-17(23-24)22-19(27)25-8-6-13(7-9-25)10-14-2-3-16(20)15(11-14)12-21/h2-5,11,13H,6-10H2,1H3,(H,22,23,27)
InChIKeyLLRIHMULNBSKDJ-UHFFFAOYSA-N
XLogP2.28
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-3-cyanophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662466
4-[2-(3,5-difluorophenyl)ethyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 157412972
4-[(2-fluorophenoxy)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662325
4-amino-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
CID 154662473
4-(3,4-difluorophenoxy)-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide;molecular hydrogen
CID 156741733
5-[[1-(3-aminocyclobutanecarbonyl)pyrrolidin-3-yl]methyl]-2-fluorobenzonitrile
CID 166295663
methyl 4-[(3-cyano-4-fluorophenyl)methyl]cyclohexane-1-carboxylate
CID 172582169
2-[[1-(1-methyl-6-oxopyridazine-3-carbonyl)piperidin-4-yl]methoxy]pyridine-3-carbonitrile
CID 126873510
4-benzyl-N-(6-oxo-1H-pyridazin-3-yl)piperidine-1-carboxamide
CID 108887249
4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 154662314
4-[(3-chloro-5-fluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(2,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,4-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide;4-[(3,5-difluorophenyl)methyl]-N-(1-methyl-6-oxo-3-pyridinyl)piperidine-1-carboxamide
CID 159885857
N-(6-chloropyridazin-3-yl)-4-(naphthalen-2-ylmethyl)piperidine-1-carboxamide
CID 25132060

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide (CID 154662305) is 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide is Cn1nc(NC(=O)N2CCC(Cc3ccc(F)c(C#N)c3)CC2)ccc1=O.
What is the InChIKey of 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is LLRIHMULNBSKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-24-18(26)5-4-17(23-24)22-19(27)25-8-6-13(7-9-25)10-14-2-3-16(20)15(11-14)12-21/h2-5,11,13H,6-10H2,1H3,(H,22,23,27).
What are the key properties of 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyano-4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154662305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).