2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide

C16H26ClN3O — CID 62175435

IUPAC2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(CC)CC(CC)CC)cc(Cl)n1
InChIInChI=1S/C16H26ClN3O/c1-5-12(6-2)11-20(8-4)16(21)13-9-14(17)19-15(10-13)18-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyFPXVQBWJECHHAN-UHFFFAOYSA-N
MW311.86 g/mol
LogP4.07
Rot. Bonds8

About 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide

2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide (PubChem CID 62175435) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide
PubChem CID62175435
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(CC)CC(CC)CC)cc(Cl)n1
InChIInChI=1S/C16H26ClN3O/c1-5-12(6-2)11-20(8-4)16(21)13-9-14(17)19-15(10-13)18-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,18,19)
InChIKeyFPXVQBWJECHHAN-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 54.07
H-Bond Donors ≤ 51
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-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62172199
2-chloro-N-cyclopentyl-N-ethyl-6-(ethylamino)pyridine-4-carboxamide
CID 62169890
2-chloro-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-cyclopropyl-6-(ethylamino)-N-propylpyridine-4-carboxamide
CID 62169478
2-chloro-N-(cyclopentylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 63657981
2-chloro-N-(cyclobutylmethyl)-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62855903
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
CID 62165976
2-chloro-6-(ethylamino)-N-(2-methylsulfinylethyl)pyridine-4-carboxamide
CID 113480509
2-chloro-6-(ethylamino)-N-[3-(methylamino)-3-oxopropyl]pyridine-4-carboxamide
CID 62175036
5-chloro-N-ethyl-2-(ethylamino)-N-(2-ethylbutyl)benzamide
CID 63500077
2-chloro-N,N-bis(cyanomethyl)-6-(propylamino)pyridine-4-carboxamide
CID 62184912
2-chloro-N-ethyl-6-hydrazinyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 62248055

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide (CID 62175435) is 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide is CCNc1cc(C(=O)N(CC)CC(CC)CC)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide?
The InChIKey is FPXVQBWJECHHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-5-12(6-2)11-20(8-4)16(21)13-9-14(17)19-15(10-13)18-7-3/h9-10,12H,5-8,11H2,1-4H3,(H,18,19).
What are the key properties of 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide?
2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-(ethylamino)-N-(2-ethylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 62175435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).