6-chloro-N,N-diethylpyridine-3-carboxamide

C10H13ClN2O — CID 587813

IUPAC6-chloro-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)8-5-6-9(11)12-7-8/h5-7H,3-4H2,1-2H3
InChIKeyDEWSDUANQYRLFT-UHFFFAOYSA-N
MW212.68 g/mol
LogP2.22
Rot. Bonds3

About 6-chloro-N,N-diethylpyridine-3-carboxamide

6-chloro-N,N-diethylpyridine-3-carboxamide (PubChem CID 587813) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 6-chloro-N,N-diethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N,N-diethylpyridine-3-carboxamide
PubChem CID587813
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name6-chloro-N,N-diethylpyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Cl)nc1
InChIInChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)8-5-6-9(11)12-7-8/h5-7H,3-4H2,1-2H3
InChIKeyDEWSDUANQYRLFT-UHFFFAOYSA-N
XLogP2.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-diethylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N,N-diethylpyridine-3-carboxamide (CID 587813) is 6-chloro-N,N-diethylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N,N-diethylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N,N-diethylpyridine-3-carboxamide is CCN(CC)C(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N,N-diethylpyridine-3-carboxamide?
The InChIKey is DEWSDUANQYRLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-3-13(4-2)10(14)8-5-6-9(11)12-7-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 6-chloro-N,N-diethylpyridine-3-carboxamide?
6-chloro-N,N-diethylpyridine-3-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-diethylpyridine-3-carboxamide is sourced from PubChem (CID 587813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).