N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

C19H18F2N6O — CID 90514742

IUPACN-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C19H18F2N6O/c20-15-4-3-14(10-16(15)21)23-19(28)13-2-1-8-26(11-13)17-5-6-18(25-24-17)27-9-7-22-12-27/h3-7,9-10,12-13H,1-2,8,11H2,(H,23,28)
InChIKeyNNCHUDFBEKEOJJ-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.80
Rot. Bonds4

About N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide

N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 90514742) has the molecular formula C19H18F2N6O and a molecular weight of 384.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID90514742
Molecular FormulaC19H18F2N6O
Molecular Weight384.39 g/mol
Exact Mass384.15
IUPAC NameN-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)C1CCCN(c2ccc(-n3ccnc3)nn2)C1
InChIInChI=1S/C19H18F2N6O/c20-15-4-3-14(10-16(15)21)23-19(28)13-2-1-8-26(11-13)17-5-6-18(25-24-17)27-9-7-22-12-27/h3-7,9-10,12-13H,1-2,8,11H2,(H,23,28)
InChIKeyNNCHUDFBEKEOJJ-UHFFFAOYSA-N
XLogP2.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(3-fluoro-4-methylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907702
N-(4-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514741
(3S)-N-(3-fluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 52907697
N-(2,5-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514846
N-(3-bromophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514823
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514811
(3R)-N-(3,4-difluorophenyl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 97040572
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(1H-indazol-6-yl)piperidine-3-carboxamide
CID 52993035
(3S)-1-(6-imidazol-1-ylpyridazin-3-yl)-N-[3-(methanesulfonamido)phenyl]piperidine-3-carboxamide
CID 52907741
N-(2,6-dimethylphenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 90514780
1-(6-imidazol-1-ylpyridazin-3-yl)-N-(2-methylsulfanylphenyl)piperidine-3-carboxamide
CID 52993023
N-(3-fluoro-4-imidazol-1-ylphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55955657

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide (CID 90514742) is N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)C1CCCN(c2ccc(-n3ccnc3)nn2)C1.
What is the InChIKey of N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is NNCHUDFBEKEOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O/c20-15-4-3-14(10-16(15)21)23-19(28)13-2-1-8-26(11-13)17-5-6-18(25-24-17)27-9-7-22-12-27/h3-7,9-10,12-13H,1-2,8,11H2,(H,23,28).
What are the key properties of N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide?
N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-1-(6-imidazol-1-ylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 90514742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).