3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide

C13H20ClN3O2 — CID 81074655

IUPAC3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(C)CCOCC)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-15-11-7-6-10(14)12(16-11)13(18)17(3)8-9-19-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyGAPFTLDGXYBTFK-UHFFFAOYSA-N
MW285.78 g/mol
LogP2.28
Rot. Bonds7

About 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide

3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide (PubChem CID 81074655) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide
PubChem CID81074655
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(C)CCOCC)n1
InChIInChI=1S/C13H20ClN3O2/c1-4-15-11-7-6-10(14)12(16-11)13(18)17(3)8-9-19-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,15,16)
InChIKeyGAPFTLDGXYBTFK-UHFFFAOYSA-N
XLogP2.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide (CID 81074655) is 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)N(C)CCOCC)n1.
What is the InChIKey of 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide?
The InChIKey is GAPFTLDGXYBTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2/c1-4-15-11-7-6-10(14)12(16-11)13(18)17(3)8-9-19-5-2/h6-7H,4-5,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide?
3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide has a molecular weight of 285.78 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-ethoxyethyl)-6-(ethylamino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 81074655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).