N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide

C16H22N4O4 — CID 154739118

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)c2c[nH]cc(C)c2=O)CC1
InChIInChI=1S/C16H22N4O4/c1-11-9-17-10-13(15(11)23)16(24)18-4-3-14(22)20-7-5-19(6-8-20)12(2)21/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyOIOSPUDRYSOHIJ-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.51
Rot. Bonds4

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 154739118) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID154739118
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCNC(=O)c2c[nH]cc(C)c2=O)CC1
InChIInChI=1S/C16H22N4O4/c1-11-9-17-10-13(15(11)23)16(24)18-4-3-14(22)20-7-5-19(6-8-20)12(2)21/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24)
InChIKeyOIOSPUDRYSOHIJ-UHFFFAOYSA-N
XLogP-0.51
TPSA102.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 154739118) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide is CC(=O)N1CCN(C(=O)CCNC(=O)c2c[nH]cc(C)c2=O)CC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is OIOSPUDRYSOHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-11-9-17-10-13(15(11)23)16(24)18-4-3-14(22)20-7-5-19(6-8-20)12(2)21/h9-10H,3-8H2,1-2H3,(H,17,23)(H,18,24).
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 334.38 g/mol, XLogP of -0.51, 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]-5-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 154739118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).