5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide

C20H31ClFN3O2 — CID 143229493

IUPAC5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide
SMILESCC1CCCN(c2ncc(Cl)cc2F)C1.CCN(C=O)C1CCC(O)CC1
InChIInChI=1S/C11H14ClFN2.C9H17NO2/c1-8-3-2-4-15(7-8)11-10(13)5-9(12)6-14-11;1-2-10(7-11)8-3-5-9(12)6-4-8/h5-6,8H,2-4,7H2,1H3;7-9,12H,2-6H2,1H3
InChIKeyPGXBAVWGMCIUSH-UHFFFAOYSA-N
MW399.94 g/mol
LogP3.88
Rot. Bonds4

About 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide

5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide (PubChem CID 143229493) has the molecular formula C20H31ClFN3O2 and a molecular weight of 399.94 g/mol. Its IUPAC name is 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide.

Molecular Properties

Compound Name5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide
PubChem CID143229493
Molecular FormulaC20H31ClFN3O2
Molecular Weight399.94 g/mol
Exact Mass399.21
IUPAC Name5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide
SMILESCC1CCCN(c2ncc(Cl)cc2F)C1.CCN(C=O)C1CCC(O)CC1
InChIInChI=1S/C11H14ClFN2.C9H17NO2/c1-8-3-2-4-15(7-8)11-10(13)5-9(12)6-14-11;1-2-10(7-11)8-3-5-9(12)6-4-8/h5-6,8H,2-4,7H2,1H3;7-9,12H,2-6H2,1H3
InChIKeyPGXBAVWGMCIUSH-UHFFFAOYSA-N
XLogP3.88
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.94
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
N-[[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]-2-methylpropan-1-amine
CID 79734168
N-cyclohexyl-N-ethylformamide;2-methoxy-5-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]pyridine
CID 143229409
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335489
N-(2-aminoethyl)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidine-3-carboxamide
CID 79727350
N-cyclohexyl-N-ethylformamide;3-[3-fluoro-4-(3-methylpiperidin-1-yl)phenyl]-1,3-oxazinan-2-one
CID 143229402
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951
2-(4-bromo-3-methylpiperidin-1-yl)-5-chloro-3-fluoropyridine
CID 114682797
1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylpiperidin-4-amine
CID 79867696
4-[8-(5-chloro-3-fluoro-2-pyridinyl)-2,8-diazaspiro[4.5]decan-2-yl]cyclohexan-1-ol
CID 69161071
9-(5-chloro-3-fluoro-2-pyridinyl)-2-(4-hydroxycyclohexyl)-2,9-diazaspiro[4.5]decan-1-one
CID 66722584
N-[[(3S)-1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]methyl]propane-2-sulfonamide
CID 96546219

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide?
The IUPAC name of 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide (CID 143229493) is 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide.
What is the SMILES notation for 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide?
The canonical SMILES for 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide is CC1CCCN(c2ncc(Cl)cc2F)C1.CCN(C=O)C1CCC(O)CC1.
What is the InChIKey of 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide?
The InChIKey is PGXBAVWGMCIUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2.C9H17NO2/c1-8-3-2-4-15(7-8)11-10(13)5-9(12)6-14-11;1-2-10(7-11)8-3-5-9(12)6-4-8/h5-6,8H,2-4,7H2,1H3;7-9,12H,2-6H2,1H3.
What are the key properties of 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide?
5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide has a molecular weight of 399.94 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-2-(3-methylpiperidin-1-yl)pyridine;N-ethyl-N-(4-hydroxycyclohexyl)formamide is sourced from PubChem (CID 143229493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).