2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide

C16H16Cl2N2O2 — CID 87023490

IUPAC2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-3-6-22-13-7-10(2)4-5-12(13)19-16(21)11-8-14(17)20-15(18)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,19,21)
InChIKeyOOQDDCKBLPDDNF-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.74
Rot. Bonds5

About 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide

2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide (PubChem CID 87023490) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
PubChem CID87023490
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C16H16Cl2N2O2/c1-3-6-22-13-7-10(2)4-5-12(13)19-16(21)11-8-14(17)20-15(18)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,19,21)
InChIKeyOOQDDCKBLPDDNF-UHFFFAOYSA-N
XLogP4.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-N-(4-methyl-2-propoxyphenyl)pyridine-2-carboxamide
CID 62233815
2-chloro-N-(4-methyl-2-propoxyphenyl)furan-3-carboxamide
CID 106685527
2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 103754686
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572
N-(4-methyl-2-propoxyphenyl)naphthalene-1-carboxamide
CID 60534076
2-methyl-N-(4-methyl-2-propoxyphenyl)propanamide
CID 61062170
3-chloro-5-methoxy-N-[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]-4-propoxybenzamide
CID 60575096
phenyl N-(4-methyl-2-propoxyphenyl)carbamate
CID 61216988
2-hydroxy-5-methoxy-N-(4-methyl-2-propoxyphenyl)benzamide
CID 112846311
2-methoxy-N-(4-methyl-2-propoxyphenyl)acetamide
CID 61062328
4-chloro-3-iodo-N-[2-(2-methoxyethoxy)-4-methylphenyl]benzamide
CID 55891092
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide (CID 87023490) is 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide is CCCOc1cc(C)ccc1NC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide?
The InChIKey is OOQDDCKBLPDDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-3-6-22-13-7-10(2)4-5-12(13)19-16(21)11-8-14(17)20-15(18)9-11/h4-5,7-9H,3,6H2,1-2H3,(H,19,21).
What are the key properties of 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide?
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide has a molecular weight of 339.22 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 87023490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).