2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide

C12H18ClN3O — CID 102824371

IUPAC2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-4-16(5-2)12(17)9(3)15-10-6-7-14-11(13)8-10/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyNLQDWPGZGGVYQC-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.40
Rot. Bonds5

About 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide

2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide (PubChem CID 102824371) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
PubChem CID102824371
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C12H18ClN3O/c1-4-16(5-2)12(17)9(3)15-10-6-7-14-11(13)8-10/h6-9H,4-5H2,1-3H3,(H,14,15)
InChIKeyNLQDWPGZGGVYQC-UHFFFAOYSA-N
XLogP2.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.40
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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Related Compounds

2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
2-(3,4-dichloroanilino)-N,N-diethylpropanamide
CID 23317113
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
2-[(4-amino-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 113408299
2-(4-amino-3-methylanilino)-N,N-diethylpropanamide
CID 113408308
2-(3,5-dimethylanilino)-N,N-diethylpropanamide
CID 43113083
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]propanoic acid
CID 43517392
N-benzyl-2-[(2-chloro-4-pyridinyl)amino]propanamide
CID 133360082
N,N-diethyl-2-[(6-methoxy-3-pyridinyl)amino]propanamide
CID 43114034
N,N-diethyl-2-(3-methoxyanilino)propanamide
CID 43112833
1-(2-chloro-4-pyridinyl)-3-(2-methylbutyl)urea
CID 14625252
2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103110286

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide (CID 102824371) is 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide?
The InChIKey is NLQDWPGZGGVYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-16(5-2)12(17)9(3)15-10-6-7-14-11(13)8-10/h6-9H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide?
2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide has a molecular weight of 255.75 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)amino]-N,N-diethylpropanamide is sourced from PubChem (CID 102824371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).