2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide

C14H21ClN2O2 — CID 113450078

IUPAC2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCOC(C)C)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O2/c1-4-5-12-8-11(9-13(15)17-12)14(18)16-6-7-19-10(2)3/h8-10H,4-7H2,1-3H3,(H,16,18)
InChIKeyRLXHOBAGLDZPAN-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.84
Rot. Bonds7

About 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide

2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide (PubChem CID 113450078) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
PubChem CID113450078
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NCCOC(C)C)cc(Cl)n1
InChIInChI=1S/C14H21ClN2O2/c1-4-5-12-8-11(9-13(15)17-12)14(18)16-6-7-19-10(2)3/h8-10H,4-7H2,1-3H3,(H,16,18)
InChIKeyRLXHOBAGLDZPAN-UHFFFAOYSA-N
XLogP2.84
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.84
H-Bond Donors ≤ 51
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-hydrazinyl-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide
CID 104765815
N-(2-acetamidoethyl)-2-chloro-6-propylpyridine-4-carboxamide
CID 113379769
2-chloro-N-(2-propan-2-yloxyethyl)-6-(propylamino)pyridine-4-carboxamide
CID 104765513
2-chloro-N-(2-methylbutyl)-6-propylpyridine-4-carboxamide
CID 113379911
2-ethyl-6-(ethylamino)-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 104765567
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]-6-propylpyridine-4-carboxamide
CID 106336199
2-chloro-N-[2-(dimethylamino)-2-oxoethyl]-6-propylpyridine-4-carboxamide
CID 113379751
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
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
2-chloro-6-propyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 113379796
2-chloro-N-(2-ethoxypropyl)-6-ethylpyridine-4-carboxamide
CID 113477234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide (CID 113450078) is 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NCCOC(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide?
The InChIKey is RLXHOBAGLDZPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-4-5-12-8-11(9-13(15)17-12)14(18)16-6-7-19-10(2)3/h8-10H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide?
2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide has a molecular weight of 284.79 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-propan-2-yloxyethyl)-6-propylpyridine-4-carboxamide is sourced from PubChem (CID 113450078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).