N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide

C10H11Cl2N3O2 — CID 106993229

IUPACN-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-6(16)13-4-5-14-10(17)7-2-3-8(11)15-9(7)12/h2-3H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyAZQJUEMBUNXJKU-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.25
Rot. Bonds4

About N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide

N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide (PubChem CID 106993229) has the molecular formula C10H11Cl2N3O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
PubChem CID106993229
Molecular FormulaC10H11Cl2N3O2
Molecular Weight276.12 g/mol
Exact Mass275.02
IUPAC NameN-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C10H11Cl2N3O2/c1-6(16)13-4-5-14-10(17)7-2-3-8(11)15-9(7)12/h2-3H,4-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyAZQJUEMBUNXJKU-UHFFFAOYSA-N
XLogP1.25
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.25
H-Bond Donors ≤ 52
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

2,6-dichloro-N-(6-hydroxyhexyl)pyridine-3-carboxamide
CID 107851393
N-(4-aminobutyl)-2,6-dichloropyridine-3-carboxamide
CID 106993576
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
CID 106993258
2,6-dichloro-N-(5-methylhexyl)pyridine-3-carboxamide
CID 103687935
2-[(2,6-dichloropyridine-3-carbonyl)amino]ethyl N-methylcarbamate
CID 155072068
2,6-dichloro-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
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
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
2,6-dichloro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 113230361
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
2,6-dichloro-N-(3-ethenoxypropyl)pyridine-3-carboxamide
CID 106993547

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide (CID 106993229) is N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide is CC(=O)NCCNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide?
The InChIKey is AZQJUEMBUNXJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N3O2/c1-6(16)13-4-5-14-10(17)7-2-3-8(11)15-9(7)12/h2-3H,4-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide?
N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide has a molecular weight of 276.12 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide is sourced from PubChem (CID 106993229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).