N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide

C19H24N4O2 — CID 53180884

IUPACN-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-25-13-11-21-19(24)16-8-5-9-18(22-16)23-12-10-20-17(14-23)15-6-3-2-4-7-15/h2-9,17,20H,10-14H2,1H3,(H,21,24)
InChIKeyRGLBATZBJHNERP-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.61
Rot. Bonds6

About N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide

N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 53180884) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID53180884
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCOCCNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-25-13-11-21-19(24)16-8-5-9-18(22-16)23-12-10-20-17(14-23)15-6-3-2-4-7-15/h2-9,17,20H,10-14H2,1H3,(H,21,24)
InChIKeyRGLBATZBJHNERP-UHFFFAOYSA-N
XLogP1.61
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide (CID 53180884) is N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide is COCCNC(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is RGLBATZBJHNERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-25-13-11-21-19(24)16-8-5-9-18(22-16)23-12-10-20-17(14-23)15-6-3-2-4-7-15/h2-9,17,20H,10-14H2,1H3,(H,21,24).
What are the key properties of N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide?
N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(3-phenylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 53180884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).