N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide

C15H20N4O4 — CID 110626385

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C15H20N4O4/c1-11(20)18-6-8-19(9-7-18)14(22)4-5-16-15(23)12-2-3-13(21)17-10-12/h2-3,10H,4-9H2,1H3,(H,16,23)(H,17,21)
InChIKeyWCIHTPZPIJKNQV-UHFFFAOYSA-N
MW320.35 g/mol
LogP-0.81
Rot. Bonds4

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 110626385) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID110626385
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C15H20N4O4/c1-11(20)18-6-8-19(9-7-18)14(22)4-5-16-15(23)12-2-3-13(21)17-10-12/h2-3,10H,4-9H2,1H3,(H,16,23)(H,17,21)
InChIKeyWCIHTPZPIJKNQV-UHFFFAOYSA-N
XLogP-0.81
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43389064
N-[3-(tert-butylamino)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide
CID 115609109
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154739118
4-tert-butyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964230
N-[3-(4-methylpiperidin-1-yl)propyl]-6-oxo-1H-pyridine-3-carboxamide
CID 30541274
4-fluoro-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 47250876
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide
CID 51180610
N-ethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-1-carboxamide
CID 60701290
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
4-chloro-N-[3-oxo-3-[(3-oxo-3-piperidin-1-ylpropyl)amino]propyl]benzamide
CID 55802990
4-bromo-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 7964467
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-sulfanylbenzamide
CID 107034732

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide (CID 110626385) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide is CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WCIHTPZPIJKNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-11(20)18-6-8-19(9-7-18)14(22)4-5-16-15(23)12-2-3-13(21)17-10-12/h2-3,10H,4-9H2,1H3,(H,16,23)(H,17,21).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of -0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 110626385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).