N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide

C30H30N2O2 — CID 46090574

IUPACN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(OC)cc4)n3)c2)cc1
InChIInChI=1S/C30H30N2O2/c1-3-4-5-8-22-13-15-24(16-14-22)30(33)31-26-10-6-9-25(21-26)29-12-7-11-28(32-29)23-17-19-27(34-2)20-18-23/h6-7,9-21H,3-5,8H2,1-2H3,(H,31,33)
InChIKeyLJGSWMLCWQSMCQ-UHFFFAOYSA-N
MW450.58 g/mol
LogP7.41
Rot. Bonds9

About N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide

N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide (PubChem CID 46090574) has the molecular formula C30H30N2O2 and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide.

Molecular Properties

Compound NameN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide
PubChem CID46090574
Molecular FormulaC30H30N2O2
Molecular Weight450.58 g/mol
Exact Mass450.23
IUPAC NameN-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide
SMILESCCCCCc1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(OC)cc4)n3)c2)cc1
InChIInChI=1S/C30H30N2O2/c1-3-4-5-8-22-13-15-24(16-14-22)30(33)31-26-10-6-9-25(21-26)29-12-7-11-28(32-29)23-17-19-27(34-2)20-18-23/h6-7,9-21H,3-5,8H2,1-2H3,(H,31,33)
InChIKeyLJGSWMLCWQSMCQ-UHFFFAOYSA-N
XLogP7.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 57.41
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

4-butyl-N-[3-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3523030
N-[3-(6-bromoimidazo[1,2-a]pyridin-2-yl)phenyl]-4-butylbenzamide
CID 42737411
4-butoxy-N-[3-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 41089364
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methoxybenzamide
CID 7422519
4-butoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080161
3,5-dimethoxy-N-[4-[6-(3-methoxyphenyl)-2-pyridinyl]phenyl]benzamide
CID 46090564
4-hexoxy-N-(3-methoxyphenyl)benzamide
CID 4933605
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
4-butoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055736
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-pentoxybenzamide
CID 122285167
4-butoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055735

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide?
The IUPAC name of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide (CID 46090574) is N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide.
What is the SMILES notation for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide?
The canonical SMILES for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide is CCCCCc1ccc(C(=O)Nc2cccc(-c3cccc(-c4ccc(OC)cc4)n3)c2)cc1.
What is the InChIKey of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide?
The InChIKey is LJGSWMLCWQSMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O2/c1-3-4-5-8-22-13-15-24(16-14-22)30(33)31-26-10-6-9-25(21-26)29-12-7-11-28(32-29)23-17-19-27(34-2)20-18-23/h6-7,9-21H,3-5,8H2,1-2H3,(H,31,33).
What are the key properties of N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide?
N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide has a molecular weight of 450.58 g/mol, XLogP of 7.41, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methoxyphenyl)-2-pyridinyl]phenyl]-4-pentylbenzamide is sourced from PubChem (CID 46090574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).