(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

C23H23ClN4O — CID 30351172

IUPAC(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C23H23ClN4O/c24-20-11-5-4-9-18(20)15-25-23(29)19-10-6-14-28(16-19)22-13-12-21(26-27-22)17-7-2-1-3-8-17/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,29)/t19-/m1/s1
InChIKeyVWTQXBVFEUQIJT-LJQANCHMSA-N
MW406.92 g/mol
LogP4.33
Rot. Bonds5

About (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide

(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 30351172) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
PubChem CID30351172
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C23H23ClN4O/c24-20-11-5-4-9-18(20)15-25-23(29)19-10-6-14-28(16-19)22-13-12-21(26-27-22)17-7-2-1-3-8-17/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,29)/t19-/m1/s1
InChIKeyVWTQXBVFEUQIJT-LJQANCHMSA-N
XLogP4.33
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071054
(3S)-N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 93055860
N-[(2-methylphenyl)methyl]-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025098
N-[(4-phenylmethoxyphenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071238
(3S)-N-(4-chlorophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30351128
N-[(2-methylphenyl)methyl]-1-[6-(2-methylphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 53025019
(3S)-1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 30866249
1-[6-(4-chlorophenyl)pyridazin-3-yl]-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 121071544
(3S)-1-(6-phenylpyridazin-3-yl)-N-[(4-propoxyphenyl)methyl]piperidine-3-carboxamide
CID 93055655
N-[(2-chlorophenyl)methyl]-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 30361507
(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 98746052
N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070949

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide (CID 30351172) is (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is O=C(NCc1ccccc1Cl)[C@@H]1CCCN(c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is VWTQXBVFEUQIJT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-20-11-5-4-9-18(20)15-25-23(29)19-10-6-14-28(16-19)22-13-12-21(26-27-22)17-7-2-1-3-8-17/h1-5,7-9,11-13,19H,6,10,14-16H2,(H,25,29)/t19-/m1/s1.
What are the key properties of (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide?
(3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-chlorophenyl)methyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 30351172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).