4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide

C26H25N3O — CID 5174853

IUPAC4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)nc1
InChIInChI=1S/C26H25N3O/c1-2-3-4-7-19-10-15-25(27-17-19)20-11-13-21(14-12-20)26(30)29-23-16-22-8-5-6-9-24(22)28-18-23/h5-6,8-18H,2-4,7H2,1H3,(H,29,30)
InChIKeyLFLDVRUOOAPDEW-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.28
Rot. Bonds7

About 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide

4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide (PubChem CID 5174853) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide.

Molecular Properties

Compound Name4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
PubChem CID5174853
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC Name4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide
SMILESCCCCCc1ccc(-c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)nc1
InChIInChI=1S/C26H25N3O/c1-2-3-4-7-19-10-15-25(27-17-19)20-11-13-21(14-12-20)26(30)29-23-16-22-8-5-6-9-24(22)28-18-23/h5-6,8-18H,2-4,7H2,1H3,(H,29,30)
InChIKeyLFLDVRUOOAPDEW-UHFFFAOYSA-N
XLogP6.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.28
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

N-[3,5-bis[[6-(4-pentylphenyl)pyridine-3-carbonyl]amino]phenyl]-6-(4-pentylphenyl)pyridine-3-carboxamide
CID 140904471
4-(5-pentyl-2-pyridinyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 5109793
N-(4-pentoxyphenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 3324314
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 11304509
4-(methoxymethyl)-N-quinolin-3-ylbenzamide
CID 18153378
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
4-bromo-N-quinolin-3-ylbenzamide
CID 3301629
5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621534
4-(benzenesulfonylmethyl)-N-quinolin-3-ylbenzamide
CID 91641553
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063

Frequently Asked Questions

What is the IUPAC name of 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide?
The IUPAC name of 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide (CID 5174853) is 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide.
What is the SMILES notation for 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide?
The canonical SMILES for 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide is CCCCCc1ccc(-c2ccc(C(=O)Nc3cnc4ccccc4c3)cc2)nc1.
What is the InChIKey of 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide?
The InChIKey is LFLDVRUOOAPDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O/c1-2-3-4-7-19-10-15-25(27-17-19)20-11-13-21(14-12-20)26(30)29-23-16-22-8-5-6-9-24(22)28-18-23/h5-6,8-18H,2-4,7H2,1H3,(H,29,30).
What are the key properties of 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide?
4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide has a molecular weight of 395.51 g/mol, XLogP of 6.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pentyl-2-pyridinyl)-N-quinolin-3-ylbenzamide is sourced from PubChem (CID 5174853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).