2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide

C9H9ClN4O — CID 83073416

IUPAC2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
SMILESCC(Nc1cc(C#N)cc(Cl)n1)C(N)=O
InChIInChI=1S/C9H9ClN4O/c1-5(9(12)15)13-8-3-6(4-11)2-7(10)14-8/h2-3,5H,1H3,(H2,12,15)(H,13,14)
InChIKeyHDKQHZKJNVOUOI-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.89
Rot. Bonds3

About 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide

2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide (PubChem CID 83073416) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
PubChem CID83073416
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide
SMILESCC(Nc1cc(C#N)cc(Cl)n1)C(N)=O
InChIInChI=1S/C9H9ClN4O/c1-5(9(12)15)13-8-3-6(4-11)2-7(10)14-8/h2-3,5H,1H3,(H2,12,15)(H,13,14)
InChIKeyHDKQHZKJNVOUOI-UHFFFAOYSA-N
XLogP0.89
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-4-cyano-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 113408047
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
2-[(6-chloro-2-pyridinyl)amino]propanamide
CID 63587646
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
2-chloro-6-(1-cyclopropylethylamino)pyridine-4-carbonitrile
CID 83072956
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
2-[[4-cyano-6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]propanamide
CID 66799611
2-[(6-amino-2-methylpyrimidin-4-yl)amino]propanamide
CID 80788207
2-chloro-6-[1-(4-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83073840
2-chloro-6-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]pyridine-4-carbonitrile
CID 83073128
2-[(6-cyanopyridazin-3-yl)amino]propanamide
CID 130676267

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide?
The IUPAC name of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide (CID 83073416) is 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide.
What is the SMILES notation for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide?
The canonical SMILES for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide is CC(Nc1cc(C#N)cc(Cl)n1)C(N)=O.
What is the InChIKey of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide?
The InChIKey is HDKQHZKJNVOUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c1-5(9(12)15)13-8-3-6(4-11)2-7(10)14-8/h2-3,5H,1H3,(H2,12,15)(H,13,14).
What are the key properties of 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide?
2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide has a molecular weight of 224.65 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-4-cyano-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 83073416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).