5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide

C24H20N4O2 — CID 109105406

IUPAC5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide
SMILESCC(NC(=O)c1cncc(C(=O)Nc2cccc3cccnc23)c1)c1ccccc1
InChIInChI=1S/C24H20N4O2/c1-16(17-7-3-2-4-8-17)27-23(29)19-13-20(15-25-14-19)24(30)28-21-11-5-9-18-10-6-12-26-22(18)21/h2-16H,1H3,(H,27,29)(H,28,30)
InChIKeyGTBLIROCZBXTKC-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.37
Rot. Bonds5

About 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide

5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide (PubChem CID 109105406) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide
PubChem CID109105406
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide
SMILESCC(NC(=O)c1cncc(C(=O)Nc2cccc3cccnc23)c1)c1ccccc1
InChIInChI=1S/C24H20N4O2/c1-16(17-7-3-2-4-8-17)27-23(29)19-13-20(15-25-14-19)24(30)28-21-11-5-9-18-10-6-12-26-22(18)21/h2-16H,1H3,(H,27,29)(H,28,30)
InChIKeyGTBLIROCZBXTKC-UHFFFAOYSA-N
XLogP4.37
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-methoxyphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108883
5-bromo-N-quinolin-8-ylpyridine-3-carboxamide
CID 837055
3-N-(3,4-dimethylphenyl)-5-N-quinolin-8-ylpyridine-3,5-dicarboxamide
CID 109108326
5-(N-ethylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109243659
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
N-(1-phenylethyl)-5-(quinolin-8-ylamino)pyrazine-2-carboxamide
CID 109280869
5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109244039
5-(4-acetamidoanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109245897
3-N-[(1S)-1-phenylethyl]-1-N-pyridin-2-ylbenzene-1,3-dicarboxamide
CID 10958899
5-(4-methylpiperidine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109103274
3-N-(3-methoxyphenyl)-5-N-(1-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105396
N-(2-ethylphenyl)-5-(quinolin-8-ylamino)pyridine-3-carboxamide
CID 109243373

Frequently Asked Questions

What is the IUPAC name of 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide (CID 109105406) is 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide is CC(NC(=O)c1cncc(C(=O)Nc2cccc3cccnc23)c1)c1ccccc1.
What is the InChIKey of 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide?
The InChIKey is GTBLIROCZBXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16(17-7-3-2-4-8-17)27-23(29)19-13-20(15-25-14-19)24(30)28-21-11-5-9-18-10-6-12-26-22(18)21/h2-16H,1H3,(H,27,29)(H,28,30).
What are the key properties of 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide?
5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1-phenylethyl)-3-N-quinolin-8-ylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).