2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide

C13H12ClN3O — CID 20509442

IUPAC2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide
SMILESCCc1nc(Cl)c(C(N)=O)cc1-c1ccncc1
InChIInChI=1S/C13H12ClN3O/c1-2-11-9(8-3-5-16-6-4-8)7-10(13(15)18)12(14)17-11/h3-7H,2H2,1H3,(H2,15,18)
InChIKeyHKHHOLJIKIHNDT-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.46
Rot. Bonds3

About 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide

2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide (PubChem CID 20509442) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide
PubChem CID20509442
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide
SMILESCCc1nc(Cl)c(C(N)=O)cc1-c1ccncc1
InChIInChI=1S/C13H12ClN3O/c1-2-11-9(8-3-5-16-6-4-8)7-10(13(15)18)12(14)17-11/h3-7H,2H2,1H3,(H2,15,18)
InChIKeyHKHHOLJIKIHNDT-UHFFFAOYSA-N
XLogP2.46
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide (CID 20509442) is 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide is CCc1nc(Cl)c(C(N)=O)cc1-c1ccncc1.
What is the InChIKey of 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide?
The InChIKey is HKHHOLJIKIHNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-2-11-9(8-3-5-16-6-4-8)7-10(13(15)18)12(14)17-11/h3-7H,2H2,1H3,(H2,15,18).
What are the key properties of 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide?
2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide has a molecular weight of 261.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-5-pyridin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 20509442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).