N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide

C19H24N4O — CID 38449187

IUPACN-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C19H24N4O/c24-19(18-9-4-5-10-20-18)21-11-6-12-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,24)
InChIKeyHAASTYOQOBYQGE-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.02
Rot. Bonds6

About N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide

N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide (PubChem CID 38449187) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide
PubChem CID38449187
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C19H24N4O/c24-19(18-9-4-5-10-20-18)21-11-6-12-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,24)
InChIKeyHAASTYOQOBYQGE-UHFFFAOYSA-N
XLogP2.02
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide (CID 38449187) is N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide is O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
The InChIKey is HAASTYOQOBYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c24-19(18-9-4-5-10-20-18)21-11-6-12-22-13-15-23(16-14-22)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,21,24).
What are the key properties of N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide?
N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-phenylpiperazin-1-yl)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 38449187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).