5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

C13H17Cl2N3O — CID 60783145

IUPAC5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c14-11-8-10(9-17-12(11)15)13(19)16-4-7-18-5-2-1-3-6-18/h8-9H,1-7H2,(H,16,19)
InChIKeyZWDZEILQLFMCKR-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.60
Rot. Bonds4

About 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide

5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 60783145) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
PubChem CID60783145
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2N3O/c14-11-8-10(9-17-12(11)15)13(19)16-4-7-18-5-2-1-3-6-18/h8-9H,1-7H2,(H,16,19)
InChIKeyZWDZEILQLFMCKR-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-(2-oxo-2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 115618777
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
N-[2-(azepan-1-yl)ethyl]-2,5-dichloropyridine-4-carboxamide
CID 114918151
5-hydroxy-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63860872
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
N-[2-(carbamoylamino)ethyl]-5,6-dichloropyridine-3-carboxamide
CID 78995207
5,6-dichloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78968072
2-chloro-4,5-difluoro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173608
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 82778500
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide (CID 60783145) is 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is O=C(NCCN1CCCCC1)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is ZWDZEILQLFMCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-11-8-10(9-17-12(11)15)13(19)16-4-7-18-5-2-1-3-6-18/h8-9H,1-7H2,(H,16,19).
What are the key properties of 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide?
5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 60783145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).