6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide

C10H13ClN2O2 — CID 169269963

IUPAC6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide
SMILESCONC(=O)c1nc(Cl)ccc1C(C)C
InChIInChI=1S/C10H13ClN2O2/c1-6(2)7-4-5-8(11)12-9(7)10(14)13-15-3/h4-6H,1-3H3,(H,13,14)
InChIKeyWBQFFCUEFQQIQC-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.15
Rot. Bonds3

About 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide

6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide (PubChem CID 169269963) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide
PubChem CID169269963
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide
SMILESCONC(=O)c1nc(Cl)ccc1C(C)C
InChIInChI=1S/C10H13ClN2O2/c1-6(2)7-4-5-8(11)12-9(7)10(14)13-15-3/h4-6H,1-3H3,(H,13,14)
InChIKeyWBQFFCUEFQQIQC-UHFFFAOYSA-N
XLogP2.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide (CID 169269963) is 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide is CONC(=O)c1nc(Cl)ccc1C(C)C.
What is the InChIKey of 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide?
The InChIKey is WBQFFCUEFQQIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6(2)7-4-5-8(11)12-9(7)10(14)13-15-3/h4-6H,1-3H3,(H,13,14).
What are the key properties of 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide?
6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methoxy-3-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 169269963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).