3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide

C15H21Cl2N3O2 — CID 111112860

IUPAC3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O2/c1-10-4-6-20(7-5-10)9-11(21)8-18-15(22)14-12(16)2-3-13(17)19-14/h2-3,10-11,21H,4-9H2,1H3,(H,18,22)
InChIKeyRHHGYXSSMBHPNW-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.21
Rot. Bonds5

About 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide

3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 111112860) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID111112860
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC Name3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
SMILESCC1CCN(CC(O)CNC(=O)c2nc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O2/c1-10-4-6-20(7-5-10)9-11(21)8-18-15(22)14-12(16)2-3-13(17)19-14/h2-3,10-11,21H,4-9H2,1H3,(H,18,22)
InChIKeyRHHGYXSSMBHPNW-UHFFFAOYSA-N
XLogP2.21
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[(2S)-2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 95304469
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methylpyridine-2-carboxamide
CID 111112729
4-acetyl-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 111422376
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-methylbenzamide
CID 111112795
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2-oxazole-3-carboxamide
CID 111422396
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]thiophene-2-carboxamide
CID 111112713
2-(2-chloro-6-fluorophenyl)-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]acetamide
CID 111112760
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1,2,5-thiadiazole-3-carboxamide
CID 111422524
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 111112773
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-1-methylindole-2-carboxamide
CID 111112721
N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-4-pyrazol-1-ylbenzamide
CID 111112821
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 65118546

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide (CID 111112860) is 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide is CC1CCN(CC(O)CNC(=O)c2nc(Cl)ccc2Cl)CC1.
What is the InChIKey of 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is RHHGYXSSMBHPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-10-4-6-20(7-5-10)9-11(21)8-18-15(22)14-12(16)2-3-13(17)19-14/h2-3,10-11,21H,4-9H2,1H3,(H,18,22).
What are the key properties of 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 346.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 111112860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).