2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide

C13H20ClN3O — CID 62165976

IUPAC2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)C(C)C)cc(Cl)n1
InChIInChI=1S/C13H20ClN3O/c1-5-15-12-7-10(6-11(14)17-12)13(18)16-9(4)8(2)3/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyXMXBCTOUAZZLPZ-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.94
Rot. Bonds5

About 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide

2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide (PubChem CID 62165976) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
PubChem CID62165976
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)NC(C)C(C)C)cc(Cl)n1
InChIInChI=1S/C13H20ClN3O/c1-5-15-12-7-10(6-11(14)17-12)13(18)16-9(4)8(2)3/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18)
InChIKeyXMXBCTOUAZZLPZ-UHFFFAOYSA-N
XLogP2.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.94
H-Bond Donors ≤ 52
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-6-(ethylamino)-N-methylpyridine-4-carboxamide
CID 62171489
2-chloro-N-(1-ethoxypropan-2-yl)-6-(ethylamino)pyridine-4-carboxamide
CID 62175806
2-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-4-carboxamide
CID 62180370
2-chloro-6-(ethylamino)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
CID 106389759
2-chloro-6-(ethylamino)-N-(1-methylcyclohexyl)pyridine-4-carboxamide
CID 62175112
2-chloro-6-(ethylamino)-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62179108
N-(2-bromo-4-methylphenyl)-2-chloro-6-(ethylamino)pyridine-4-carboxamide
CID 62185754
2-chloro-6-(ethylamino)-N-pyridin-4-ylpyridine-4-carboxamide
CID 62167550
2-chloro-N-hexan-2-yl-6-(methylamino)pyridine-4-carboxamide
CID 62200290
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide (CID 62165976) is 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide is CCNc1cc(C(=O)NC(C)C(C)C)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide?
The InChIKey is XMXBCTOUAZZLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-5-15-12-7-10(6-11(14)17-12)13(18)16-9(4)8(2)3/h6-9H,5H2,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide?
2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide has a molecular weight of 269.78 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(ethylamino)-N-(3-methylbutan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 62165976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).