2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide

C15H12Cl2N2O2 — CID 173330673

IUPAC2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide
SMILESO=C(NCC=COc1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c16-13-9-11(10-14(17)19-13)15(20)18-7-4-8-21-12-5-2-1-3-6-12/h1-6,8-10H,7H2,(H,18,20)
InChIKeyRYSGCKLFUYQRSR-UHFFFAOYSA-N
MW323.18 g/mol
LogP3.71
Rot. Bonds5

About 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide

2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide (PubChem CID 173330673) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide
PubChem CID173330673
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide
SMILESO=C(NCC=COc1ccccc1)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C15H12Cl2N2O2/c16-13-9-11(10-14(17)19-13)15(20)18-7-4-8-21-12-5-2-1-3-6-12/h1-6,8-10H,7H2,(H,18,20)
InChIKeyRYSGCKLFUYQRSR-UHFFFAOYSA-N
XLogP3.71
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-prop-2-enylpyridine-4-carboxamide
CID 9399521
2,6-dichloro-N-[(1-phenylcyclopropyl)methyl]pyridine-4-carboxamide
CID 29293830
N-but-2-ynyl-2,6-dichloropyridine-4-carboxamide
CID 115866916
N-(2-oxoethyl)-3-phenoxybenzamide
CID 100943832
2,6-dichloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841536
2,6-dichloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 115701162
N-(7-benzamido-4-oxohepta-2,5-dienyl)benzamide
CID 175163770
2,6-dichloro-N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 38004196
2-[(2,6-dichloropyridine-4-carbonyl)amino]oxyacetic acid
CID 103603441
N-[(E)-but-2-enyl]naphthalene-2-carboxamide
CID 59644417
2-chloro-N-[(2-fluorophenyl)methyl]-6-methylpyridine-4-carboxamide
CID 113378285
2,6-dichloro-N-[3-(2-hydroxyethoxy)propyl]pyridine-4-carboxamide
CID 110024020

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide (CID 173330673) is 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide is O=C(NCC=COc1ccccc1)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide?
The InChIKey is RYSGCKLFUYQRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-13-9-11(10-14(17)19-13)15(20)18-7-4-8-21-12-5-2-1-3-6-12/h1-6,8-10H,7H2,(H,18,20).
What are the key properties of 2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide?
2,6-dichloro-N-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide has a molecular weight of 323.18 g/mol, XLogP of 3.71, 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-(3-phenoxyprop-2-enyl)pyridine-4-carboxamide is sourced from PubChem (CID 173330673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).