4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide

C18H21F2N5O2 — CID 154662344

IUPAC4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(NCc3cc(F)cc(F)c3)CC2)ccc1=O
InChIInChI=1S/C18H21F2N5O2/c1-24-17(26)3-2-16(23-24)22-18(27)25-6-4-15(5-7-25)21-11-12-8-13(19)10-14(20)9-12/h2-3,8-10,15,21H,4-7,11H2,1H3,(H,22,23,27)
InChIKeyIKHNFLZJIJIMRQ-UHFFFAOYSA-N
MW377.40 g/mol
LogP1.84
Rot. Bonds4

About 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide

4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide (PubChem CID 154662344) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
PubChem CID154662344
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide
SMILESCn1nc(NC(=O)N2CCC(NCc3cc(F)cc(F)c3)CC2)ccc1=O
InChIInChI=1S/C18H21F2N5O2/c1-24-17(26)3-2-16(23-24)22-18(27)25-6-4-15(5-7-25)21-11-12-8-13(19)10-14(20)9-12/h2-3,8-10,15,21H,4-7,11H2,1H3,(H,22,23,27)
InChIKeyIKHNFLZJIJIMRQ-UHFFFAOYSA-N
XLogP1.84
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide (CID 154662344) is 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide is Cn1nc(NC(=O)N2CCC(NCc3cc(F)cc(F)c3)CC2)ccc1=O.
What is the InChIKey of 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
The InChIKey is IKHNFLZJIJIMRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-24-17(26)3-2-16(23-24)22-18(27)25-6-4-15(5-7-25)21-11-12-8-13(19)10-14(20)9-12/h2-3,8-10,15,21H,4-7,11H2,1H3,(H,22,23,27).
What are the key properties of 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide?
4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methylamino]-N-(1-methyl-6-oxopyridazin-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 154662344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).