(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

C22H20ClFN4O — CID 30351026

IUPAC(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H20ClFN4O/c23-18-13-17(8-9-19(18)24)25-22(29)16-7-4-12-28(14-16)21-11-10-20(26-27-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,16H,4,7,12,14H2,(H,25,29)/t16-/m0/s1
InChIKeyRMDYOBWGLCDZCZ-INIZCTEOSA-N
MW410.88 g/mol
LogP4.79
Rot. Bonds4

About (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 30351026) has the molecular formula C22H20ClFN4O and a molecular weight of 410.88 g/mol. Its IUPAC name is (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID30351026
Molecular FormulaC22H20ClFN4O
Molecular Weight410.88 g/mol
Exact Mass410.13
IUPAC Name(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H20ClFN4O/c23-18-13-17(8-9-19(18)24)25-22(29)16-7-4-12-28(14-16)21-11-10-20(26-27-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,16H,4,7,12,14H2,(H,25,29)/t16-/m0/s1
InChIKeyRMDYOBWGLCDZCZ-INIZCTEOSA-N
XLogP4.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-4-carboxamide
CID 30360826
N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyrimidin-4-yl)piperidine-3-carboxamide
CID 90519239
N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071550
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
(3S)-N-(3-chloro-4-fluorophenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-3-carboxamide
CID 95085896
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070850
(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 30866208
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078
N-(3-chloro-4-fluorophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 30365439

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 30351026) is (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is RMDYOBWGLCDZCZ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H20ClFN4O/c23-18-13-17(8-9-19(18)24)25-22(29)16-7-4-12-28(14-16)21-11-10-20(26-27-21)15-5-2-1-3-6-15/h1-3,5-6,8-11,13,16H,4,7,12,14H2,(H,25,29)/t16-/m0/s1.
What are the key properties of (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 410.88 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30351026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).