N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide

C19H24N4O2 — CID 70031352

IUPACN-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
SMILESO=C(NC(O)CCc1ccccc1)c1cccnc1N1CCNCC1
InChIInChI=1S/C19H24N4O2/c24-17(9-8-15-5-2-1-3-6-15)22-19(25)16-7-4-10-21-18(16)23-13-11-20-12-14-23/h1-7,10,17,20,24H,8-9,11-14H2,(H,22,25)
InChIKeyLYQCHAGQTUDLHM-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.17
Rot. Bonds6

About N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide

N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide (PubChem CID 70031352) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
PubChem CID70031352
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
SMILESO=C(NC(O)CCc1ccccc1)c1cccnc1N1CCNCC1
InChIInChI=1S/C19H24N4O2/c24-17(9-8-15-5-2-1-3-6-15)22-19(25)16-7-4-10-21-18(16)23-13-11-20-12-14-23/h1-7,10,17,20,24H,8-9,11-14H2,(H,22,25)
InChIKeyLYQCHAGQTUDLHM-UHFFFAOYSA-N
XLogP1.17
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide (CID 70031352) is N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide is O=C(NC(O)CCc1ccccc1)c1cccnc1N1CCNCC1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide?
The InChIKey is LYQCHAGQTUDLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-17(9-8-15-5-2-1-3-6-15)22-19(25)16-7-4-10-21-18(16)23-13-11-20-12-14-23/h1-7,10,17,20,24H,8-9,11-14H2,(H,22,25).
What are the key properties of N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide?
N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 70031352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).