2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide

C13H19ClN2O2 — CID 113379836

IUPAC2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N(C)CCOC)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O2/c1-4-5-11-8-10(9-12(14)15-11)13(17)16(2)6-7-18-3/h8-9H,4-7H2,1-3H3
InChIKeyBKBRVEZTFCQWSK-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.41
Rot. Bonds6

About 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide

2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide (PubChem CID 113379836) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
PubChem CID113379836
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)N(C)CCOC)cc(Cl)n1
InChIInChI=1S/C13H19ClN2O2/c1-4-5-11-8-10(9-12(14)15-11)13(17)16(2)6-7-18-3/h8-9H,4-7H2,1-3H3
InChIKeyBKBRVEZTFCQWSK-UHFFFAOYSA-N
XLogP2.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(2-methoxyethyl)-N-methyl-6-propan-2-ylpyridine-4-carboxamide
CID 113379837
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 113450078
2-chloro-N-(2-cyanoethyl)-6-ethyl-N-methylpyridine-4-carboxamide
CID 113379723
2,6-dichloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-4-carboxamide
CID 55226373
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2,6-dichloro-N-(2-methoxyethyl)-N-pentan-3-ylpyridine-4-carboxamide
CID 60792617
N-benzyl-2-chloro-N-[2-(dimethylamino)ethyl]-6-propylpyridine-4-carboxamide
CID 113379794
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
CID 106336199
N-tert-butyl-2-chloro-6-propylpyridine-4-carboxamide
CID 113379664
2-chloro-N-(2-hydroxyethyl)-6-methoxy-N-methylpyridine-4-carboxamide
CID 84580621
3-chloro-N-(2-methoxyethyl)-N-methyl-5-sulfamoylbenzamide
CID 65388976

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide (CID 113379836) is 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)N(C)CCOC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide?
The InChIKey is BKBRVEZTFCQWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-4-5-11-8-10(9-12(14)15-11)13(17)16(2)6-7-18-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide?
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 113379836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).