N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

C20H19F2N7O — CID 122347837

IUPACN-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C20H19F2N7O/c21-16-2-1-15(13-17(16)22)25-20(30)29-11-9-28(10-12-29)19-4-3-18(26-27-19)24-14-5-7-23-8-6-14/h1-8,13H,9-12H2,(H,25,30)(H,23,24,26)
InChIKeyCCJUSJPTCHRWOM-UHFFFAOYSA-N
MW411.42 g/mol
LogP3.25
Rot. Bonds4

About N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide

N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122347837) has the molecular formula C20H19F2N7O and a molecular weight of 411.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
PubChem CID122347837
Molecular FormulaC20H19F2N7O
Molecular Weight411.42 g/mol
Exact Mass411.16
IUPAC NameN-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1
InChIInChI=1S/C20H19F2N7O/c21-16-2-1-15(13-17(16)22)25-20(30)29-11-9-28(10-12-29)19-4-3-18(26-27-19)24-14-5-7-23-8-6-14/h1-8,13H,9-12H2,(H,25,30)(H,23,24,26)
InChIKeyCCJUSJPTCHRWOM-UHFFFAOYSA-N
XLogP3.25
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(pyridin-4-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122347844
pyridin-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347828
N-(3-chloro-4-fluorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111781
N-(3,5-difluorophenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 56700221
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 42111913
N-(3,4-dimethylphenyl)-4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 121064676
oxan-4-yl-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347928
(5-chlorothiophen-2-yl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347915
(3,4-dimethoxyphenyl)-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 56699559
4-[6-(pyridin-3-ylamino)pyridazin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 122347587
N-(4-fluorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 42111775
N-(4-chlorophenyl)-4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazine-1-carboxamide
CID 50947917

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide (CID 122347837) is N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide is O=C(Nc1ccc(F)c(F)c1)N1CCN(c2ccc(Nc3ccncc3)nn2)CC1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
The InChIKey is CCJUSJPTCHRWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N7O/c21-16-2-1-15(13-17(16)22)25-20(30)29-11-9-28(10-12-29)19-4-3-18(26-27-19)24-14-5-7-23-8-6-14/h1-8,13H,9-12H2,(H,25,30)(H,23,24,26).
What are the key properties of N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide?
N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 411.42 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122347837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).