6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide

C20H23N3O3 — CID 109096025

IUPAC6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C20H23N3O3/c24-19(21-11-5-8-16-6-2-1-3-7-16)17-9-4-10-18(22-17)20(25)23-12-14-26-15-13-23/h1-4,6-7,9-10H,5,8,11-15H2,(H,21,24)
InChIKeyZDMRLVWYRNSUDR-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.92
Rot. Bonds6

About 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide

6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide (PubChem CID 109096025) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
PubChem CID109096025
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
SMILESO=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCOCC2)n1
InChIInChI=1S/C20H23N3O3/c24-19(21-11-5-8-16-6-2-1-3-7-16)17-9-4-10-18(22-17)20(25)23-12-14-26-15-13-23/h1-4,6-7,9-10H,5,8,11-15H2,(H,21,24)
InChIKeyZDMRLVWYRNSUDR-UHFFFAOYSA-N
XLogP1.92
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.92
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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Related Compounds

N-(3-phenylpropyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095159
6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109099081
4-(morpholine-4-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109045457
N-(2-morpholin-4-ylethyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095108
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481
6-N-(oxolan-2-ylmethyl)-2-N-(3-phenylpropyl)pyridine-2,6-dicarboxamide
CID 109096175
N,N-diethyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096024
6-(4-methylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109095414
N-[2-(4-fluorophenyl)ethyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094790
N-tert-butyl-6-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109096027
methyl 6-(morpholine-4-carbonyl)pyridine-2-carboxylate
CID 47244996
morpholin-4-yl-[5-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109184585

Frequently Asked Questions

What is the IUPAC name of 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The IUPAC name of 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide (CID 109096025) is 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide is O=C(NCCCc1ccccc1)c1cccc(C(=O)N2CCOCC2)n1.
What is the InChIKey of 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
The InChIKey is ZDMRLVWYRNSUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c24-19(21-11-5-8-16-6-2-1-3-7-16)17-9-4-10-18(22-17)20(25)23-12-14-26-15-13-23/h1-4,6-7,9-10H,5,8,11-15H2,(H,21,24).
What are the key properties of 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide?
6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 109096025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).