N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide

C21H19ClFN5O — CID 30365439

IUPACN-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C21H19ClFN5O/c22-17-12-16(3-4-18(17)23)25-21(29)14-7-10-28(11-8-14)20-6-5-19(26-27-20)15-2-1-9-24-13-15/h1-6,9,12-14H,7-8,10-11H2,(H,25,29)
InChIKeyFHLQTMJVFFTLKS-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.19
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30365439) has the molecular formula C21H19ClFN5O and a molecular weight of 411.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30365439
Molecular FormulaC21H19ClFN5O
Molecular Weight411.87 g/mol
Exact Mass411.13
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-c3cccnc3)nn2)CC1
InChIInChI=1S/C21H19ClFN5O/c22-17-12-16(3-4-18(17)23)25-21(29)14-7-10-28(11-8-14)20-6-5-19(26-27-20)15-2-1-9-24-13-15/h1-6,9,12-14H,7-8,10-11H2,(H,25,29)
InChIKeyFHLQTMJVFFTLKS-UHFFFAOYSA-N
XLogP4.19
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-difluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365350
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
N-[3,5-bis(trifluoromethyl)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365521
N-[4-(dimethylamino)phenyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365512
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
methyl 4-[[1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carbonyl]amino]benzoate
CID 30365220
N-(3-fluorophenyl)-1-[6-(3-fluorophenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 53025334
N-propan-2-yl-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365272
N-(2,4-dimethylphenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365483
N-(3-chloro-4-fluorophenyl)-1-[6-(4-methylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carboxamide
CID 50743000
N-[(1S)-1-phenylethyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30867017
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121071094

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30365439) is N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)C1CCN(c2ccc(-c3cccnc3)nn2)CC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is FHLQTMJVFFTLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O/c22-17-12-16(3-4-18(17)23)25-21(29)14-7-10-28(11-8-14)20-6-5-19(26-27-20)15-2-1-9-24-13-15/h1-6,9,12-14H,7-8,10-11H2,(H,25,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30365439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).