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

C22H21ClN4O — CID 30351128

IUPAC(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H21ClN4O/c23-18-8-10-19(11-9-18)24-22(28)17-7-4-14-27(15-17)21-13-12-20(25-26-21)16-5-2-1-3-6-16/h1-3,5-6,8-13,17H,4,7,14-15H2,(H,24,28)/t17-/m0/s1
InChIKeyZUYHICHZUPWMEP-KRWDZBQOSA-N
MW392.89 g/mol
LogP4.65
Rot. Bonds4

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

(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 30351128) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID30351128
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C22H21ClN4O/c23-18-8-10-19(11-9-18)24-22(28)17-7-4-14-27(15-17)21-13-12-20(25-26-21)16-5-2-1-3-6-16/h1-3,5-6,8-13,17H,4,7,14-15H2,(H,24,28)/t17-/m0/s1
InChIKeyZUYHICHZUPWMEP-KRWDZBQOSA-N
XLogP4.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071550
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
(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
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
(3S)-N-(3-acetylphenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866083
N-(4-acetamidophenyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071100
N-[4-(2-acetamidoethoxy)phenyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071260

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 30351128) is (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is ZUYHICHZUPWMEP-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21ClN4O/c23-18-8-10-19(11-9-18)24-22(28)17-7-4-14-27(15-17)21-13-12-20(25-26-21)16-5-2-1-3-6-16/h1-3,5-6,8-13,17H,4,7,14-15H2,(H,24,28)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 392.89 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30351128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).