4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide

C15H15Cl2N3O2 — CID 133469039

IUPAC4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O2/c16-10-2-3-14(12(17)8-10)22-7-1-5-20-13-4-6-19-9-11(13)15(18)21/h2-4,6,8-9H,1,5,7H2,(H2,18,21)(H,19,20)
InChIKeyQWHUBSNZUGMBIG-UHFFFAOYSA-N
MW340.21 g/mol
LogP3.37
Rot. Bonds7

About 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide

4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide (PubChem CID 133469039) has the molecular formula C15H15Cl2N3O2 and a molecular weight of 340.21 g/mol. Its IUPAC name is 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide
PubChem CID133469039
Molecular FormulaC15H15Cl2N3O2
Molecular Weight340.21 g/mol
Exact Mass339.05
IUPAC Name4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O2/c16-10-2-3-14(12(17)8-10)22-7-1-5-20-13-4-6-19-9-11(13)15(18)21/h2-4,6,8-9H,1,5,7H2,(H2,18,21)(H,19,20)
InChIKeyQWHUBSNZUGMBIG-UHFFFAOYSA-N
XLogP3.37
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(oxan-4-yloxy)propylamino]pyridine-3-carboxamide
CID 133454965
4-[3-(4-bromo-2-fluorophenyl)propylamino]pyridine-3-carboxamide
CID 133471398
3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid
CID 71765674
6-[3-(2,4-dichlorophenoxy)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329073
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
N-[4-(2,4-dichlorophenoxy)butyl]-2-methoxyaniline
CID 54798108
4-chloro-2-[2-(methylamino)ethoxy]benzamide
CID 63082636
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
N-(2,5-dichlorophenyl)-4-(propylamino)pyridine-3-carboxamide
CID 81237097
2-chloro-N-[3-(2,4-dichlorophenoxy)propylcarbamothioyl]benzamide
CID 134095574
4-[[2-(4-chlorophenyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469856
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide (CID 133469039) is 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide is NC(=O)c1cnccc1NCCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide?
The InChIKey is QWHUBSNZUGMBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O2/c16-10-2-3-14(12(17)8-10)22-7-1-5-20-13-4-6-19-9-11(13)15(18)21/h2-4,6,8-9H,1,5,7H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide?
4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide has a molecular weight of 340.21 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133469039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).