N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide

C11H14Cl2N2O2 — CID 71987137

IUPACN-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(Cl)c(Cl)cn1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-17-5-3-4-11(16)15-10-6-8(12)9(13)7-14-10/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyKVVGUFWTPUSRPG-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.14
Rot. Bonds6

About N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide

N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide (PubChem CID 71987137) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
PubChem CID71987137
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC NameN-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
SMILESCCOCCCC(=O)Nc1cc(Cl)c(Cl)cn1
InChIInChI=1S/C11H14Cl2N2O2/c1-2-17-5-3-4-11(16)15-10-6-8(12)9(13)7-14-10/h6-7H,2-5H2,1H3,(H,14,15,16)
InChIKeyKVVGUFWTPUSRPG-UHFFFAOYSA-N
XLogP3.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-pyridinyl)-4-ethoxybutanamide
CID 112729128
N-(6-chloro-5-methyl-3-pyridinyl)-4-ethoxybutanamide
CID 103730322
4-ethoxy-N-pyrazin-2-ylbutanamide
CID 86794503
N-(3,5-dichloro-2-hydroxyphenyl)-4-ethoxybutanamide
CID 103891151
N-(4-chloro-2-pyridinyl)-3-ethoxypropanamide
CID 115626770
4-ethoxy-N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]butanamide
CID 102821220
N-(4-chloro-5-iodo-2-pyridinyl)-3-methoxypropanamide
CID 75477052
4-ethoxy-N-phenylbutanamide
CID 112728021
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 71999021
N-[6-(3,4-dichloroanilino)-3-pyridinyl]pentanamide
CID 113022156
N-(5-bromo-6-methyl-2-pyridinyl)-4-ethoxybutanamide
CID 79116971
4-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]butanamide
CID 51099258

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide?
The IUPAC name of N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide (CID 71987137) is N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide.
What is the SMILES notation for N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide?
The canonical SMILES for N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide is CCOCCCC(=O)Nc1cc(Cl)c(Cl)cn1.
What is the InChIKey of N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide?
The InChIKey is KVVGUFWTPUSRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-17-5-3-4-11(16)15-10-6-8(12)9(13)7-14-10/h6-7H,2-5H2,1H3,(H,14,15,16).
What are the key properties of N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide?
N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide has a molecular weight of 277.15 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide is sourced from PubChem (CID 71987137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).