2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide

C11H12Cl2N2O2 — CID 106993547

IUPAC2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
SMILESC=COCCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-2-17-7-3-6-14-11(16)8-4-5-9(12)15-10(8)13/h2,4-5H,1,3,6-7H2,(H,14,16)
InChIKeySQIKCWXHTDAMKB-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.67
Rot. Bonds6

About 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide

2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide (PubChem CID 106993547) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.13 g/mol. Its IUPAC name is 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
PubChem CID106993547
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.13 g/mol
Exact Mass274.03
IUPAC Name2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
SMILESC=COCCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C11H12Cl2N2O2/c1-2-17-7-3-6-14-11(16)8-4-5-9(12)15-10(8)13/h2,4-5H,1,3,6-7H2,(H,14,16)
InChIKeySQIKCWXHTDAMKB-UHFFFAOYSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.67
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(3-ethenoxypropyl)pyridine-2-carboxamide
CID 62233139
2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
2-bromo-4-chloro-N-(3-ethenoxypropyl)benzamide
CID 107988215
2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
CID 155072068
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-3-carboxamide
CID 113227307
2,6-dichloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyridine-3-carboxamide
CID 114127211
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide (CID 106993547) is 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide is C=COCCCNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide?
The InChIKey is SQIKCWXHTDAMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-2-17-7-3-6-14-11(16)8-4-5-9(12)15-10(8)13/h2,4-5H,1,3,6-7H2,(H,14,16).
What are the key properties of 2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide?
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide has a molecular weight of 275.13 g/mol, XLogP of 2.67, 6 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-ethenoxypropyl)pyridine-3-carboxamide is sourced from PubChem (CID 106993547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).