N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide

C17H18F2N4O — CID 71778568

IUPACN-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H18F2N4O/c18-13-5-4-6-14(19)12(13)11-20-17(24)15-7-8-16(22-21-15)23-9-2-1-3-10-23/h4-8H,1-3,9-11H2,(H,20,24)
InChIKeyRMOVAMJONXNERN-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.68
Rot. Bonds4

About N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide

N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide (PubChem CID 71778568) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
PubChem CID71778568
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC NameN-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
SMILESO=C(NCc1c(F)cccc1F)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C17H18F2N4O/c18-13-5-4-6-14(19)12(13)11-20-17(24)15-7-8-16(22-21-15)23-9-2-1-3-10-23/h4-8H,1-3,9-11H2,(H,20,24)
InChIKeyRMOVAMJONXNERN-UHFFFAOYSA-N
XLogP2.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide (CID 71778568) is N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide is O=C(NCc1c(F)cccc1F)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
The InChIKey is RMOVAMJONXNERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c18-13-5-4-6-14(19)12(13)11-20-17(24)15-7-8-16(22-21-15)23-9-2-1-3-10-23/h4-8H,1-3,9-11H2,(H,20,24).
What are the key properties of N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide?
N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-difluorophenyl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide is sourced from PubChem (CID 71778568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).