6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide

C11H14ClN3O2 — CID 55052492

IUPAC6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-7(2)14-10(16)6-13-11(17)8-4-3-5-9(12)15-8/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyUHBYMAACRRXVFK-UHFFFAOYSA-N
MW255.70 g/mol
LogP0.99
Rot. Bonds4

About 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide

6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide (PubChem CID 55052492) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
PubChem CID55052492
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
SMILESCC(C)NC(=O)CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-7(2)14-10(16)6-13-11(17)8-4-3-5-9(12)15-8/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,16)
InChIKeyUHBYMAACRRXVFK-UHFFFAOYSA-N
XLogP0.99
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-propan-2-ylpyridine-2-carboxamide
CID 24903389
6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
6-chloro-N-(4-methylpentyl)pyridine-2-carboxamide
CID 62235303
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
6-chloro-N-(2-cyclopropylpropyl)pyridine-2-carboxamide
CID 115599506
4-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-2-carboxamide
CID 63375816
3-[[(6-chloropyridine-2-carbonyl)amino]methyl]-5-methylhexanoic acid
CID 65492491
6-chloro-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 115410299
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 62234351
6-chloro-N-(2-ethyl-2-hydroxybutyl)pyridine-2-carboxamide
CID 65107379
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
6-chloro-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-2-carboxamide
CID 62233322

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide (CID 55052492) is 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide is CC(C)NC(=O)CNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide?
The InChIKey is UHBYMAACRRXVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7(2)14-10(16)6-13-11(17)8-4-3-5-9(12)15-8/h3-5,7H,6H2,1-2H3,(H,13,17)(H,14,16).
What are the key properties of 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide?
6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide has a molecular weight of 255.70 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 55052492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).