N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide

C15H24N4O2 — CID 111695265

IUPACN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
SMILESCN1CCN(CC(O)CN(C)C(=O)c2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-17-7-9-19(10-8-17)12-13(20)11-18(2)15(21)14-5-3-4-6-16-14/h3-6,13,20H,7-12H2,1-2H3
InChIKeyOAGSBJIJHUHPJN-UHFFFAOYSA-N
MW292.38 g/mol
LogP-0.24
Rot. Bonds5

About N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide

N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide (PubChem CID 111695265) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
PubChem CID111695265
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
SMILESCN1CCN(CC(O)CN(C)C(=O)c2ccccn2)CC1
InChIInChI=1S/C15H24N4O2/c1-17-7-9-19(10-8-17)12-13(20)11-18(2)15(21)14-5-3-4-6-16-14/h3-6,13,20H,7-12H2,1-2H3
InChIKeyOAGSBJIJHUHPJN-UHFFFAOYSA-N
XLogP-0.24
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide (CID 111695265) is N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide is CN1CCN(CC(O)CN(C)C(=O)c2ccccn2)CC1.
What is the InChIKey of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide?
The InChIKey is OAGSBJIJHUHPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-7-9-19(10-8-17)12-13(20)11-18(2)15(21)14-5-3-4-6-16-14/h3-6,13,20H,7-12H2,1-2H3.
What are the key properties of N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide?
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 111695265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).