N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide

C14H23N3O — CID 55042857

IUPACN-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(CC)CC(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-5-15-13-9-12(7-8-16-13)14(18)17(6-2)10-11(3)4/h7-9,11H,5-6,10H2,1-4H3,(H,15,16)
InChIKeyWDYCDVHIJTVTHM-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.63
Rot. Bonds6

About N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide

N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 55042857) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID55042857
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCCNc1cc(C(=O)N(CC)CC(C)C)ccn1
InChIInChI=1S/C14H23N3O/c1-5-15-13-9-12(7-8-16-13)14(18)17(6-2)10-11(3)4/h7-9,11H,5-6,10H2,1-4H3,(H,15,16)
InChIKeyWDYCDVHIJTVTHM-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide (CID 55042857) is N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide is CCNc1cc(C(=O)N(CC)CC(C)C)ccn1.
What is the InChIKey of N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is WDYCDVHIJTVTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-5-15-13-9-12(7-8-16-13)14(18)17(6-2)10-11(3)4/h7-9,11H,5-6,10H2,1-4H3,(H,15,16).
What are the key properties of N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide?
N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(ethylamino)-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 55042857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).