2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide

C25H25N3O2 — CID 109089033

IUPAC2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C25H25N3O2/c29-24(27-15-6-10-19-8-2-1-3-9-19)21-14-16-26-22(18-21)25(30)28-17-7-12-20-11-4-5-13-23(20)28/h1-5,8-9,11,13-14,16,18H,6-7,10,12,15,17H2,(H,27,29)
InChIKeyLZMQXPBORRWOEP-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.04
Rot. Bonds6

About 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide

2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide (PubChem CID 109089033) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
PubChem CID109089033
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)c1ccnc(C(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C25H25N3O2/c29-24(27-15-6-10-19-8-2-1-3-9-19)21-14-16-26-22(18-21)25(30)28-17-7-12-20-11-4-5-13-23(20)28/h1-5,8-9,11,13-14,16,18H,6-7,10,12,15,17H2,(H,27,29)
InChIKeyLZMQXPBORRWOEP-UHFFFAOYSA-N
XLogP4.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109087717
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
N-(3-phenylpropyl)-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080564
2-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089026
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109083923
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812
2,3-dihydroindol-1-yl-[4-(2-phenylethylamino)-2-pyridinyl]methanone
CID 109213671
4-(azepane-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109089068
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide (CID 109089033) is 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide is O=C(NCCCc1ccccc1)c1ccnc(C(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide?
The InChIKey is LZMQXPBORRWOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(27-15-6-10-19-8-2-1-3-9-19)21-14-16-26-22(18-21)25(30)28-17-7-12-20-11-4-5-13-23(20)28/h1-5,8-9,11,13-14,16,18H,6-7,10,12,15,17H2,(H,27,29).
What are the key properties of 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide?
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide has a molecular weight of 399.49 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109089033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).