N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide

C24H21N3O — CID 158758339

IUPACN-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCc1ccc(-c2ccc3ncccc3c2)cc1)c1cccnc1
InChIInChI=1S/C24H21N3O/c28-24(22-6-2-13-25-17-22)27-15-1-4-18-7-9-19(10-8-18)20-11-12-23-21(16-20)5-3-14-26-23/h2-3,5-14,16-17H,1,4,15H2,(H,27,28)
InChIKeyXRVIPOLNUTYAQW-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.66
Rot. Bonds6

About N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide

N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide (PubChem CID 158758339) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
PubChem CID158758339
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC NameN-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
SMILESO=C(NCCCc1ccc(-c2ccc3ncccc3c2)cc1)c1cccnc1
InChIInChI=1S/C24H21N3O/c28-24(22-6-2-13-25-17-22)27-15-1-4-18-7-9-19(10-8-18)20-11-12-23-21(16-20)5-3-14-26-23/h2-3,5-14,16-17H,1,4,15H2,(H,27,28)
InChIKeyXRVIPOLNUTYAQW-UHFFFAOYSA-N
XLogP4.66
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[3-(3-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide
CID 138674427
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[3-(3-hydroxyphenyl)propyl]pyridine-3-carboxamide
CID 84509269
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[4-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]butyl]pyridine-3-carboxamide;hydrochloride
CID 18977165
N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide
CID 67662070
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
1-N-(3-phenylpropyl)-3-N-(pyridin-3-ylmethyl)benzene-1,3-dicarboxamide
CID 109055074
N-octylquinoline-6-carboxamide
CID 68863650
N-[2-(4-nitrophenyl)ethyl]pyridine-3-carboxamide
CID 110294457
N-pent-4-ynylpyridine-3-carboxamide
CID 103709101

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide (CID 158758339) is N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide is O=C(NCCCc1ccc(-c2ccc3ncccc3c2)cc1)c1cccnc1.
What is the InChIKey of N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is XRVIPOLNUTYAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O/c28-24(22-6-2-13-25-17-22)27-15-1-4-18-7-9-19(10-8-18)20-11-12-23-21(16-20)5-3-14-26-23/h2-3,5-14,16-17H,1,4,15H2,(H,27,28).
What are the key properties of N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide?
N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-quinolin-6-ylphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 158758339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).