N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C17H28N4O2 — CID 74234352

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)c(=O)[nH]1
InChIInChI=1S/C17H28N4O2/c1-13(2)15-6-5-14(17(23)19-15)16(22)18-7-4-8-21-11-9-20(3)10-12-21/h5-6,13H,4,7-12H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyZVGKIHXNPADEFH-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.87
Rot. Bonds6

About N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 74234352) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID74234352
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)c(=O)[nH]1
InChIInChI=1S/C17H28N4O2/c1-13(2)15-6-5-14(17(23)19-15)16(22)18-7-4-8-21-11-9-20(3)10-12-21/h5-6,13H,4,7-12H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyZVGKIHXNPADEFH-UHFFFAOYSA-N
XLogP0.87
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-methylpiperazin-1-yl)propyl]-4-propan-2-ylbenzamide
CID 59186291
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 74235089
2-amino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 61249597
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]furan-3-carboxamide
CID 106686542
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
2-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 47029114
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
6-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 60668368
N-[4-(4-methylpiperazin-1-yl)butyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55656712

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 74234352) is N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)c1ccc(C(=O)NCCCN2CCN(C)CC2)c(=O)[nH]1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is ZVGKIHXNPADEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13(2)15-6-5-14(17(23)19-15)16(22)18-7-4-8-21-11-9-20(3)10-12-21/h5-6,13H,4,7-12H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 74234352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).