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

C15H21Cl2N3O — CID 43080560

IUPAC3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-11-5-2-3-9-20(11)10-4-8-18-15(21)14-12(16)6-7-13(17)19-14/h6-7,11H,2-5,8-10H2,1H3,(H,18,21)
InChIKeyXHZOLJOITFQXQC-UHFFFAOYSA-N
MW330.26 g/mol
LogP3.38
Rot. Bonds5

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

3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 43080560) has the molecular formula C15H21Cl2N3O and a molecular weight of 330.26 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID43080560
Molecular FormulaC15H21Cl2N3O
Molecular Weight330.26 g/mol
Exact Mass329.11
IUPAC Name3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
SMILESCC1CCCCN1CCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C15H21Cl2N3O/c1-11-5-2-3-9-20(11)10-4-8-18-15(21)14-12(16)6-7-13(17)19-14/h6-7,11H,2-5,8-10H2,1H3,(H,18,21)
InChIKeyXHZOLJOITFQXQC-UHFFFAOYSA-N
XLogP3.38
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
CID 1397872
4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide
CID 9473011
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazine-2-carboxamide
CID 47140611
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859
4-amino-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 38989093
4-bromo-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 7998756
N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 95281410
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]quinoline-2-carboxamide
CID 9472411
3,6-dichloro-N-(3-cyclohexyloxypropyl)pyridine-2-carboxamide
CID 38715612
2-(2,3-dichlorophenyl)-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 59338739

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide (CID 43080560) is 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide is CC1CCCCN1CCCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is XHZOLJOITFQXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O/c1-11-5-2-3-9-20(11)10-4-8-18-15(21)14-12(16)6-7-13(17)19-14/h6-7,11H,2-5,8-10H2,1H3,(H,18,21).
What are the key properties of 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide?
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 330.26 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 43080560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).