3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide

C15H24ClN3O — CID 79469760

IUPAC3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)CC(C)CC)n1
InChIInChI=1S/C15H24ClN3O/c1-5-11(4)10-19(7-3)15(20)14-12(16)8-9-13(18-14)17-6-2/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)
InChIKeyJUGVNVSVIRQHQH-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.67
Rot. Bonds7

About 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide

3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide (PubChem CID 79469760) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide
PubChem CID79469760
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)CC(C)CC)n1
InChIInChI=1S/C15H24ClN3O/c1-5-11(4)10-19(7-3)15(20)14-12(16)8-9-13(18-14)17-6-2/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)
InChIKeyJUGVNVSVIRQHQH-UHFFFAOYSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide (CID 79469760) is 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)N(CC)CC(C)CC)n1.
What is the InChIKey of 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide?
The InChIKey is JUGVNVSVIRQHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-5-11(4)10-19(7-3)15(20)14-12(16)8-9-13(18-14)17-6-2/h8-9,11H,5-7,10H2,1-4H3,(H,17,18).
What are the key properties of 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide?
3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide is sourced from PubChem (CID 79469760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).