6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide

C14H23N3O — CID 62169431

IUPAC6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide
SMILESCCCC(C)N(C)C(=O)c1ccc(NCC)nc1
InChIInChI=1S/C14H23N3O/c1-5-7-11(3)17(4)14(18)12-8-9-13(15-6-2)16-10-12/h8-11H,5-7H2,1-4H3,(H,15,16)
InChIKeyGBQDZZPILSWFJM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.77
Rot. Bonds6

About 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide

6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide (PubChem CID 62169431) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide
PubChem CID62169431
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide
SMILESCCCC(C)N(C)C(=O)c1ccc(NCC)nc1
InChIInChI=1S/C14H23N3O/c1-5-7-11(3)17(4)14(18)12-8-9-13(15-6-2)16-10-12/h8-11H,5-7H2,1-4H3,(H,15,16)
InChIKeyGBQDZZPILSWFJM-UHFFFAOYSA-N
XLogP2.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide?
The IUPAC name of 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide (CID 62169431) is 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide is CCCC(C)N(C)C(=O)c1ccc(NCC)nc1.
What is the InChIKey of 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide?
The InChIKey is GBQDZZPILSWFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-7-11(3)17(4)14(18)12-8-9-13(15-6-2)16-10-12/h8-11H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide?
6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-methyl-N-pentan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 62169431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).