(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

C17H20ClN5O — CID 51983822

IUPAC(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccn1
InChIInChI=1S/C17H20ClN5O/c1-12(14-6-2-3-9-19-14)20-17(24)13-5-4-10-23(11-13)16-8-7-15(18)21-22-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,24)/t12-,13-/m1/s1
InChIKeyNOFPKPUJLOLEFP-CHWSQXEVSA-N
MW345.83 g/mol
LogP2.62
Rot. Bonds4

About (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide

(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide (PubChem CID 51983822) has the molecular formula C17H20ClN5O and a molecular weight of 345.83 g/mol. Its IUPAC name is (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
PubChem CID51983822
Molecular FormulaC17H20ClN5O
Molecular Weight345.83 g/mol
Exact Mass345.14
IUPAC Name(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
SMILESC[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccn1
InChIInChI=1S/C17H20ClN5O/c1-12(14-6-2-3-9-19-14)20-17(24)13-5-4-10-23(11-13)16-8-7-15(18)21-22-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,24)/t12-,13-/m1/s1
InChIKeyNOFPKPUJLOLEFP-CHWSQXEVSA-N
XLogP2.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloropyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42959099
(3S)-N-benzhydryl-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 51955070
(3R)-1-(2-methylpropanoyl)-N-[(1S)-1-pyridin-2-ylethyl]piperidine-3-carboxamide
CID 94091157
1-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]-3-(1-pyridin-2-ylethyl)urea
CID 127337250
N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
(3S)-1-(6-chloropyridazin-3-yl)-N-[(S)-(4-fluorophenyl)-phenylmethyl]piperidine-3-carboxamide
CID 51956085
1-(6-methylpyridazin-3-yl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 121118534
(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(2-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 51956311
cis-(1R,2S)-2-[[1-(6-chloropyridazin-3-yl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 167817663
(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
(3R)-1-(6-chloropyridazin-3-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 51983348

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide (CID 51983822) is (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN(c2ccc(Cl)nn2)C1)c1ccccn1.
What is the InChIKey of (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
The InChIKey is NOFPKPUJLOLEFP-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H20ClN5O/c1-12(14-6-2-3-9-19-14)20-17(24)13-5-4-10-23(11-13)16-8-7-15(18)21-22-16/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,20,24)/t12-,13-/m1/s1.
What are the key properties of (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide?
(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-pyridin-2-ylethyl]piperidine-3-carboxamide is sourced from PubChem (CID 51983822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).