3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

C18H24N6O — CID 119901319

IUPAC3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H24N6O/c19-16-5-1-4-15(14-16)17(25)20-8-3-9-23-10-12-24(13-11-23)18-21-6-2-7-22-18/h1-2,4-7,14H,3,8-13,19H2,(H,20,25)
InChIKeyBAZDWSMWSZGCMK-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.00
Rot. Bonds6

About 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide

3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide (PubChem CID 119901319) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
PubChem CID119901319
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
SMILESNc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C18H24N6O/c19-16-5-1-4-15(14-16)17(25)20-8-3-9-23-10-12-24(13-11-23)18-21-6-2-7-22-18/h1-2,4-7,14H,3,8-13,19H2,(H,20,25)
InChIKeyBAZDWSMWSZGCMK-UHFFFAOYSA-N
XLogP1.00
TPSA87.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435
3-methoxy-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 31413337
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-2-carboxamide
CID 31413320
3-(difluoromethoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539519
3-(methoxymethyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39540479
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
1-(3-aminophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 82071196
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
3-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 54861059
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 39541337
N-tert-butyl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoylamino]benzamide
CID 55819289
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide (CID 119901319) is 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide is Nc1cccc(C(=O)NCCCN2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
The InChIKey is BAZDWSMWSZGCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c19-16-5-1-4-15(14-16)17(25)20-8-3-9-23-10-12-24(13-11-23)18-21-6-2-7-22-18/h1-2,4-7,14H,3,8-13,19H2,(H,20,25).
What are the key properties of 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide?
3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 119901319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).