(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide

C23H22ClN5O2 — CID 30866208

IUPAC(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
InChIInChI=1S/C23H22ClN5O2/c24-18-7-3-15(4-8-18)20-11-12-21(28-27-20)29-13-1-2-17(14-29)23(31)26-19-9-5-16(6-10-19)22(25)30/h3-12,17H,1-2,13-14H2,(H2,25,30)(H,26,31)/t17-/m0/s1
InChIKeySFKVUJVXEUMBOQ-KRWDZBQOSA-N
MW435.92 g/mol
LogP3.75
Rot. Bonds5

About (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide

(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide (PubChem CID 30866208) has the molecular formula C23H22ClN5O2 and a molecular weight of 435.92 g/mol. Its IUPAC name is (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
PubChem CID30866208
Molecular FormulaC23H22ClN5O2
Molecular Weight435.92 g/mol
Exact Mass435.15
IUPAC Name(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
SMILESNC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1
InChIInChI=1S/C23H22ClN5O2/c24-18-7-3-15(4-8-18)20-11-12-21(28-27-20)29-13-1-2-17(14-29)23(31)26-19-9-5-16(6-10-19)22(25)30/h3-12,17H,1-2,13-14H2,(H2,25,30)(H,26,31)/t17-/m0/s1
InChIKeySFKVUJVXEUMBOQ-KRWDZBQOSA-N
XLogP3.75
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.92
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-anilinophenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121071550
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
N-pyridin-4-yl-1-(6-pyridin-4-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070781
(3S)-N-(3-chloro-4-fluorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351026
N-(4-carbamoylphenyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 71709561
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
(3S)-N-(4-methoxyphenyl)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055834
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-3-carboxamide
CID 52992502
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 121070412
(3R)-1-[6-(4-fluorophenyl)pyridazin-3-yl]-N-pyridin-4-ylpiperidine-3-carboxamide
CID 30353337
(3R)-N-(4-nitrophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866078

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide (CID 30866208) is (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide is NC(=O)c1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1.
What is the InChIKey of (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
The InChIKey is SFKVUJVXEUMBOQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H22ClN5O2/c24-18-7-3-15(4-8-18)20-11-12-21(28-27-20)29-13-1-2-17(14-29)23(31)26-19-9-5-16(6-10-19)22(25)30/h3-12,17H,1-2,13-14H2,(H2,25,30)(H,26,31)/t17-/m0/s1.
What are the key properties of (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide?
(3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide has a molecular weight of 435.92 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-carbamoylphenyl)-1-[6-(4-chlorophenyl)pyridazin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 30866208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).