2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide

C13H17Cl2N3O2 — CID 106993258

IUPAC2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-3-18(4-2)11(19)7-8-16-13(20)9-5-6-10(14)17-12(9)15/h5-6H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyNQEJPQJSLCTILM-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.38
Rot. Bonds6

About 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide

2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide (PubChem CID 106993258) has the molecular formula C13H17Cl2N3O2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
PubChem CID106993258
Molecular FormulaC13H17Cl2N3O2
Molecular Weight318.20 g/mol
Exact Mass317.07
IUPAC Name2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)c1ccc(Cl)nc1Cl
InChIInChI=1S/C13H17Cl2N3O2/c1-3-18(4-2)11(19)7-8-16-13(20)9-5-6-10(14)17-12(9)15/h5-6H,3-4,7-8H2,1-2H3,(H,16,20)
InChIKeyNQEJPQJSLCTILM-UHFFFAOYSA-N
XLogP2.38
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2,6-dichloropyridine-3-carboxamide
CID 106993229
2,6-dichloro-N-[2-(dimethylamino)propyl]pyridine-3-carboxamide
CID 106993396
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-(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(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-methyl-2-propan-2-ylbutyl)pyridine-3-carboxamide
CID 106994483
(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
CID 57052459
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
2,6-dichloro-N-[2-(dimethylamino)-3-methylbutyl]pyridine-3-carboxamide
CID 106993526

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide (CID 106993258) is 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide is CCN(CC)C(=O)CCNC(=O)c1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide?
The InChIKey is NQEJPQJSLCTILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2/c1-3-18(4-2)11(19)7-8-16-13(20)9-5-6-10(14)17-12(9)15/h5-6H,3-4,7-8H2,1-2H3,(H,16,20).
What are the key properties of 2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide?
2,6-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide has a molecular weight of 318.20 g/mol, XLogP of 2.38, 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-(diethylamino)-3-oxopropyl]pyridine-3-carboxamide is sourced from PubChem (CID 106993258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).