(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide

C23H23ClN4O — CID 51955070

IUPAC(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C23H23ClN4O/c24-20-13-14-21(27-26-20)28-15-7-12-19(16-28)23(29)25-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,19,22H,7,12,15-16H2,(H,25,29)/t19-/m0/s1
InChIKeyMAHZKTXQQQNAOA-IBGZPJMESA-N
MW406.92 g/mol
LogP4.25
Rot. Bonds5

About (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide

(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide (PubChem CID 51955070) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
PubChem CID51955070
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(c2ccc(Cl)nn2)C1
InChIInChI=1S/C23H23ClN4O/c24-20-13-14-21(27-26-20)28-15-7-12-19(16-28)23(29)25-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,19,22H,7,12,15-16H2,(H,25,29)/t19-/m0/s1
InChIKeyMAHZKTXQQQNAOA-IBGZPJMESA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(6-chloropyridazin-3-yl)-N-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine-3-carboxamide
CID 51956085
1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 51983822
N-benzhydryl-1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidine-3-carboxamide
CID 121070397
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 167817663
(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 51956311
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-[2-(difluoromethoxy)phenyl]propyl]piperidine-3-carboxamide
CID 51956343
N-benzhydryl-1-methylpiperidine-3-carboxamide
CID 132650365
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 51983350
(3S)-1-(6-chloropyridazin-3-yl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 51983817

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide (CID 51955070) is (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(c2ccc(Cl)nn2)C1.
What is the InChIKey of (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide?
The InChIKey is MAHZKTXQQQNAOA-IBGZPJMESA-N. The full InChI is InChI=1S/C23H23ClN4O/c24-20-13-14-21(27-26-20)28-15-7-12-19(16-28)23(29)25-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,13-14,19,22H,7,12,15-16H2,(H,25,29)/t19-/m0/s1.
What are the key properties of (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide?
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide has a molecular weight of 406.92 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 51955070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).