3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide

C16H15Cl3N2O2 — CID 60578580

IUPAC3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1OCCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl3N2O2/c1-10-9-11(17)3-5-13(10)23-8-2-7-20-16(22)15-12(18)4-6-14(19)21-15/h3-6,9H,2,7-8H2,1H3,(H,20,22)
InChIKeyWBXOSPKYOYBVME-UHFFFAOYSA-N
MW373.67 g/mol
LogP4.55
Rot. Bonds6

About 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide

3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide (PubChem CID 60578580) has the molecular formula C16H15Cl3N2O2 and a molecular weight of 373.67 g/mol. Its IUPAC name is 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
PubChem CID60578580
Molecular FormulaC16H15Cl3N2O2
Molecular Weight373.67 g/mol
Exact Mass372.02
IUPAC Name3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide
SMILESCc1cc(Cl)ccc1OCCCNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl3N2O2/c1-10-9-11(17)3-5-13(10)23-8-2-7-20-16(22)15-12(18)4-6-14(19)21-15/h3-6,9H,2,7-8H2,1H3,(H,20,22)
InChIKeyWBXOSPKYOYBVME-UHFFFAOYSA-N
XLogP4.55
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.67
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,6-dichloro-N-(3-propan-2-yloxypropyl)pyridine-2-carboxamide
CID 60690676
4-chloro-N-[3-(4-chloro-2-methylphenoxy)propyl]-2-nitrobenzamide
CID 60578491
2-chloro-N-[3-(4-chloro-2-methylphenoxy)propyl]-4-nitrobenzamide
CID 60578430
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2,6-dimethoxybenzamide
CID 113102587
3,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-2-carboxamide
CID 113365346
N-[2-(4-chloro-2-methylphenoxy)ethyl]-2H-triazole-4-carboxamide
CID 166293497
4-(2-acetamidoethyl)-N-[3-(4-chloro-2-methylphenoxy)propyl]benzamide
CID 47071541
1-amino-N-[3-(4-chloro-2-methylphenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119748063
5-bromo-N-[2-(4-chloro-2-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 2277112
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
2-(4-bromophenyl)-N-[2-(4-chloro-2-methylphenoxy)ethyl]acetamide
CID 113102620

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide (CID 60578580) is 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide is Cc1cc(Cl)ccc1OCCCNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide?
The InChIKey is WBXOSPKYOYBVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3N2O2/c1-10-9-11(17)3-5-13(10)23-8-2-7-20-16(22)15-12(18)4-6-14(19)21-15/h3-6,9H,2,7-8H2,1H3,(H,20,22).
What are the key properties of 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide?
3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide has a molecular weight of 373.67 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[3-(4-chloro-2-methylphenoxy)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 60578580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).