N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

C19H19F2N7O2 — CID 90601542

IUPACN-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C19H19F2N7O2/c20-19(21)30-15-3-1-2-14(10-15)24-18(29)13-6-8-27(9-7-13)16-4-5-17(26-25-16)28-12-22-11-23-28/h1-5,10-13,19H,6-9H2,(H,24,29)
InChIKeyYYIPDONAKIWNLR-UHFFFAOYSA-N
MW415.40 g/mol
LogP2.51
Rot. Bonds6

About N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide

N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (PubChem CID 90601542) has the molecular formula C19H19F2N7O2 and a molecular weight of 415.40 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
PubChem CID90601542
Molecular FormulaC19H19F2N7O2
Molecular Weight415.40 g/mol
Exact Mass415.16
IUPAC NameN-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)C1CCN(c2ccc(-n3cncn3)nn2)CC1
InChIInChI=1S/C19H19F2N7O2/c20-19(21)30-15-3-1-2-14(10-15)24-18(29)13-6-8-27(9-7-13)16-4-5-17(26-25-16)28-12-22-11-23-28/h1-5,10-13,19H,6-9H2,(H,24,29)
InChIKeyYYIPDONAKIWNLR-UHFFFAOYSA-N
XLogP2.51
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(difluoromethoxy)phenyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121119033
1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]-N-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 90601636
N-(2,4-difluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601322
N-(3-fluorophenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600324
N-(5-acetamido-2-methoxyphenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601345
N-(3-bromophenyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90601068
N-(cyclopropylmethyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601619
N-(2-methylpropyl)-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide
CID 90601280
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 90600327
N-(4-propan-2-ylphenyl)-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 90600321

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide (CID 90601542) is N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is O=C(Nc1cccc(OC(F)F)c1)C1CCN(c2ccc(-n3cncn3)nn2)CC1.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
The InChIKey is YYIPDONAKIWNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N7O2/c20-19(21)30-15-3-1-2-14(10-15)24-18(29)13-6-8-27(9-7-13)16-4-5-17(26-25-16)28-12-22-11-23-28/h1-5,10-13,19H,6-9H2,(H,24,29).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide?
N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide has a molecular weight of 415.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 90601542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).