4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide

C30H30N2O — CID 67309518

IUPAC4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
SMILESCc1cc(-c2ccc(NC(=O)C(CC(C)C)c3ccc(-c4ccccc4)cc3)cc2)ccn1
InChIInChI=1S/C30H30N2O/c1-21(2)19-29(26-11-9-24(10-12-26)23-7-5-4-6-8-23)30(33)32-28-15-13-25(14-16-28)27-17-18-31-22(3)20-27/h4-18,20-21,29H,19H2,1-3H3,(H,32,33)
InChIKeyUSHZTBRODQXXHJ-UHFFFAOYSA-N
MW434.58 g/mol
LogP7.49
Rot. Bonds7

About 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide

4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide (PubChem CID 67309518) has the molecular formula C30H30N2O and a molecular weight of 434.58 g/mol. Its IUPAC name is 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide.

Molecular Properties

Compound Name4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
PubChem CID67309518
Molecular FormulaC30H30N2O
Molecular Weight434.58 g/mol
Exact Mass434.24
IUPAC Name4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
SMILESCc1cc(-c2ccc(NC(=O)C(CC(C)C)c3ccc(-c4ccccc4)cc3)cc2)ccn1
InChIInChI=1S/C30H30N2O/c1-21(2)19-29(26-11-9-24(10-12-26)23-7-5-4-6-8-23)30(33)32-28-15-13-25(14-16-28)27-17-18-31-22(3)20-27/h4-18,20-21,29H,19H2,1-3H3,(H,32,33)
InChIKeyUSHZTBRODQXXHJ-UHFFFAOYSA-N
XLogP7.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.58
LogP ≤ 57.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123982115
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 58335435
2-(5-bromo-2-methoxyphenyl)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123240301
2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
CID 42638599
(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123178305
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
CID 67308595
2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67309019
1-(2-ethylphenyl)-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053153
1-[1-(2-methylphenyl)propan-2-yl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053045
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 143818025

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide?
The IUPAC name of 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide (CID 67309518) is 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide.
What is the SMILES notation for 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide?
The canonical SMILES for 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide is Cc1cc(-c2ccc(NC(=O)C(CC(C)C)c3ccc(-c4ccccc4)cc3)cc2)ccn1.
What is the InChIKey of 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide?
The InChIKey is USHZTBRODQXXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N2O/c1-21(2)19-29(26-11-9-24(10-12-26)23-7-5-4-6-8-23)30(33)32-28-15-13-25(14-16-28)27-17-18-31-22(3)20-27/h4-18,20-21,29H,19H2,1-3H3,(H,32,33).
What are the key properties of 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide?
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide has a molecular weight of 434.58 g/mol, XLogP of 7.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide is sourced from PubChem (CID 67309518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).