6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide

C15H14Cl2N2O2 — CID 62234356

IUPAC6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccc(Cl)n2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-8-21-13-7-6-10(9-11(13)16)18-15(20)12-4-3-5-14(17)19-12/h3-7,9H,2,8H2,1H3,(H,18,20)
InChIKeyDAYJCAXZZKBYPA-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.43
Rot. Bonds5

About 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide

6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide (PubChem CID 62234356) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.20 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
PubChem CID62234356
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.20 g/mol
Exact Mass324.04
IUPAC Name6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccc(Cl)n2)cc1Cl
InChIInChI=1S/C15H14Cl2N2O2/c1-2-8-21-13-7-6-10(9-11(13)16)18-15(20)12-4-3-5-14(17)19-12/h3-7,9H,2,8H2,1H3,(H,18,20)
InChIKeyDAYJCAXZZKBYPA-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.43
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

N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
CID 62233815
3-bromo-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide
CID 107518009
4-bromo-N-(3-chloro-4-propoxyphenyl)-1H-pyrrole-2-carboxamide
CID 47267908
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
2-amino-N-(3-chloro-4-propoxyphenyl)-2-methylpropanamide
CID 61266597
6-[(3-chloro-4-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558305
3-bromo-N-(3,4-dichlorophenyl)-4-propoxybenzamide
CID 17342688
N-(3-chloro-4-methoxyphenyl)-3-propoxybenzamide
CID 4960108
4,5-dibromo-N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 80534123
2-bromo-N-(3-chloro-4-propoxyphenyl)butanamide
CID 62854145
6-bromo-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 113343016

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide (CID 62234356) is 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide is CCCOc1ccc(NC(=O)c2cccc(Cl)n2)cc1Cl.
What is the InChIKey of 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide?
The InChIKey is DAYJCAXZZKBYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c1-2-8-21-13-7-6-10(9-11(13)16)18-15(20)12-4-3-5-14(17)19-12/h3-7,9H,2,8H2,1H3,(H,18,20).
What are the key properties of 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide?
6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide has a molecular weight of 325.20 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-propoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62234356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).