N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide

C18H28N4O3 — CID 75420641

IUPACN-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H28N4O3/c1-5-6-13(2)18(24)19-15-7-8-16(25-4)20-17(15)22-11-9-21(10-12-22)14(3)23/h7-8,13H,5-6,9-12H2,1-4H3,(H,19,24)
InChIKeyIDXRRSHXXMGPNH-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide

N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide (PubChem CID 75420641) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide
PubChem CID75420641
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1
InChIInChI=1S/C18H28N4O3/c1-5-6-13(2)18(24)19-15-7-8-16(25-4)20-17(15)22-11-9-21(10-12-22)14(3)23/h7-8,13H,5-6,9-12H2,1-4H3,(H,19,24)
InChIKeyIDXRRSHXXMGPNH-UHFFFAOYSA-N
XLogP2.13
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide (CID 75420641) is N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1ccc(OC)nc1N1CCN(C(C)=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide?
The InChIKey is IDXRRSHXXMGPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-5-6-13(2)18(24)19-15-7-8-16(25-4)20-17(15)22-11-9-21(10-12-22)14(3)23/h7-8,13H,5-6,9-12H2,1-4H3,(H,19,24).
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide?
N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide has a molecular weight of 348.45 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-6-methoxy-3-pyridinyl]-2-methylpentanamide is sourced from PubChem (CID 75420641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).