2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide

C19H32N4O2 — CID 126808665

IUPAC2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide
SMILESCCCN(CCN1CCN(CC)CC1)C(=O)c1cc(CC)[nH]c(=O)c1
InChIInChI=1S/C19H32N4O2/c1-4-7-23(13-12-22-10-8-21(6-3)9-11-22)19(25)16-14-17(5-2)20-18(24)15-16/h14-15H,4-13H2,1-3H3,(H,20,24)
InChIKeyADRAMYJTOWRJDA-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.43
Rot. Bonds8

About 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide

2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide (PubChem CID 126808665) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide
PubChem CID126808665
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide
SMILESCCCN(CCN1CCN(CC)CC1)C(=O)c1cc(CC)[nH]c(=O)c1
InChIInChI=1S/C19H32N4O2/c1-4-7-23(13-12-22-10-8-21(6-3)9-11-22)19(25)16-14-17(5-2)20-18(24)15-16/h14-15H,4-13H2,1-3H3,(H,20,24)
InChIKeyADRAMYJTOWRJDA-UHFFFAOYSA-N
XLogP1.43
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide (CID 126808665) is 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide is CCCN(CCN1CCN(CC)CC1)C(=O)c1cc(CC)[nH]c(=O)c1.
What is the InChIKey of 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide?
The InChIKey is ADRAMYJTOWRJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-4-7-23(13-12-22-10-8-21(6-3)9-11-22)19(25)16-14-17(5-2)20-18(24)15-16/h14-15H,4-13H2,1-3H3,(H,20,24).
What are the key properties of 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide?
2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]-6-oxo-N-propyl-1H-pyridine-4-carboxamide is sourced from PubChem (CID 126808665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).