N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide

C13H18ClN3O2 — CID 113379769

IUPACN-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCNC(C)=O)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-3-4-11-7-10(8-12(14)17-11)13(19)16-6-5-15-9(2)18/h7-8H,3-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyMJWPQXWTQWVRRD-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.55
Rot. Bonds6

About N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide

N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide (PubChem CID 113379769) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
PubChem CID113379769
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCNC(C)=O)cc(Cl)n1
InChIInChI=1S/C13H18ClN3O2/c1-3-4-11-7-10(8-12(14)17-11)13(19)16-6-5-15-9(2)18/h7-8H,3-6H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyMJWPQXWTQWVRRD-UHFFFAOYSA-N
XLogP1.55
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.55
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'}

Analyze N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide 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

2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
CID 106336199
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propylpyridine-4-carboxamide
CID 103005653
N-(2-acetamidoethyl)-2-chloro-6-hydrazinylpyridine-4-carboxamide
CID 62241958
2-chloro-N-(2-methylbutan-2-yl)-6-propylpyridine-4-carboxamide
CID 113379658
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379796
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
2-chloro-N-(3-hydroxy-4-methylphenyl)-6-propylpyridine-4-carboxamide
CID 107701218
2-chloro-N-[(3-methyl-4-pyridinyl)methyl]-6-propylpyridine-4-carboxamide
CID 114699468

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide (CID 113379769) is N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCCNC(C)=O)cc(Cl)n1.
What is the InChIKey of N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide?
The InChIKey is MJWPQXWTQWVRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-4-11-7-10(8-12(14)17-11)13(19)16-6-5-15-9(2)18/h7-8H,3-6H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide?
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 113379769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).