2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane

C18H30ClN3O2 — CID 142321263

IUPAC2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane
SMILESCC.CN(C)C(=O)c1ccc(N2CCC(CCCO)CC2)nc1Cl
InChIInChI=1S/C16H24ClN3O2.C2H6/c1-19(2)16(22)13-5-6-14(18-15(13)17)20-9-7-12(8-10-20)4-3-11-21;1-2/h5-6,12,21H,3-4,7-11H2,1-2H3;1-2H3
InChIKeyHYXLBOCOFUNEKD-UHFFFAOYSA-N
MW355.91 g/mol
LogP3.45
Rot. Bonds5

About 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane

2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane (PubChem CID 142321263) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane
PubChem CID142321263
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane
SMILESCC.CN(C)C(=O)c1ccc(N2CCC(CCCO)CC2)nc1Cl
InChIInChI=1S/C16H24ClN3O2.C2H6/c1-19(2)16(22)13-5-6-14(18-15(13)17)20-9-7-12(8-10-20)4-3-11-21;1-2/h5-6,12,21H,3-4,7-11H2,1-2H3;1-2H3
InChIKeyHYXLBOCOFUNEKD-UHFFFAOYSA-N
XLogP3.45
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(3S)-1-[5-[cyclohexyl(methyl)carbamoyl]-6-[methyl(propyl)amino]-2-pyridinyl]piperidin-3-yl]acetic acid
CID 59830732
2-chloro-N,N-dimethyl-6-[4-[1-(3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl)piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 129145925
2-chloro-N,N-dimethyl-6-[4-[1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]piperidin-4-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 129145928
2-chloro-6-[4-[1-[(2S)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129146143
2-chloro-6-[4-[1-(2,6-difluorobenzoyl)piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129146147
2-chloro-6-[4-[1-[2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129146150
2-chloro-6-[4-[1-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129146152
2-chloro-6-[4-[[1-[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]piperidin-4-yl]methyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 129197019
2-chloro-6-[4-[3-[[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-methylamino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 134437241
2-chloro-6-[4-[3-[[2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]amino]propyl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 134437313
2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[(2S)-2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 134437422
2-chloro-N,N-dimethyl-6-[4-[3-[methyl-[(2R)-2-(trifluoromethyl)oxolane-2-carbonyl]amino]propyl]piperidin-1-yl]pyridine-3-carboxamide
CID 134437423

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane?
The IUPAC name of 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane (CID 142321263) is 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane.
What is the SMILES notation for 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane?
The canonical SMILES for 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane is CC.CN(C)C(=O)c1ccc(N2CCC(CCCO)CC2)nc1Cl.
What is the InChIKey of 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane?
The InChIKey is HYXLBOCOFUNEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2.C2H6/c1-19(2)16(22)13-5-6-14(18-15(13)17)20-9-7-12(8-10-20)4-3-11-21;1-2/h5-6,12,21H,3-4,7-11H2,1-2H3;1-2H3.
What are the key properties of 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane?
2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane has a molecular weight of 355.91 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[4-(3-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide;ethane is sourced from PubChem (CID 142321263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).