3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide

C15H22ClN5O2 — CID 171585992

IUPAC3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide
SMILESCc1cc(N[C@@H]2CCCN(C(=O)CC(=O)N(C)C)C2)nnc1Cl
InChIInChI=1S/C15H22ClN5O2/c1-10-7-12(18-19-15(10)16)17-11-5-4-6-21(9-11)14(23)8-13(22)20(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyRJDCMSAPGVPPFJ-LLVKDONJSA-N
MW339.83 g/mol
LogP1.32
Rot. Bonds4

About 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide

3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide (PubChem CID 171585992) has the molecular formula C15H22ClN5O2 and a molecular weight of 339.83 g/mol. Its IUPAC name is 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide.

Molecular Properties

Compound Name3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide
PubChem CID171585992
Molecular FormulaC15H22ClN5O2
Molecular Weight339.83 g/mol
Exact Mass339.15
IUPAC Name3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide
SMILESCc1cc(N[C@@H]2CCCN(C(=O)CC(=O)N(C)C)C2)nnc1Cl
InChIInChI=1S/C15H22ClN5O2/c1-10-7-12(18-19-15(10)16)17-11-5-4-6-21(9-11)14(23)8-13(22)20(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,17,18)/t11-/m1/s1
InChIKeyRJDCMSAPGVPPFJ-LLVKDONJSA-N
XLogP1.32
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 171837858
tert-butyl (3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidine-1-carboxylate
CID 168973467
3-(3-aminopiperidin-1-yl)-N,N-dimethyl-3-oxopropanamide;hydrochloride
CID 119377596
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
CID 75455179
6-chloro-5-methyl-N-[(3R)-1-(3-phenylmethoxycyclobutyl)piperidin-3-yl]pyridazin-3-amine
CID 171585991
2-[(3R)-3-[(6-chloro-5-cyclopropylpyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 171545217
(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 170444097
3-[(2-chloro-5-methylpyrimidin-4-yl)amino]piperidine-1-carboxylic acid
CID 89401167
(3R)-3-[[5-(3-ethoxy-2-fluoro-3-oxoprop-1-enyl)-2-pyridinyl]amino]piperidine-1-carboxylic acid
CID 68959142
N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737
2-(3,5-dimethylpyrazol-1-yl)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62534087
1-[3-(4-propan-2-ylanilino)piperidin-1-yl]-2-sulfanylethanone
CID 146483126

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide?
The IUPAC name of 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide (CID 171585992) is 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide.
What is the SMILES notation for 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide?
The canonical SMILES for 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide is Cc1cc(N[C@@H]2CCCN(C(=O)CC(=O)N(C)C)C2)nnc1Cl.
What is the InChIKey of 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide?
The InChIKey is RJDCMSAPGVPPFJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22ClN5O2/c1-10-7-12(18-19-15(10)16)17-11-5-4-6-21(9-11)14(23)8-13(22)20(2)3/h7,11H,4-6,8-9H2,1-3H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide?
3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide has a molecular weight of 339.83 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(6-chloro-5-methylpyridazin-3-yl)amino]piperidin-1-yl]-N,N-dimethyl-3-oxopropanamide is sourced from PubChem (CID 171585992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).