N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide

C34H36N2O2 — CID 129064652

IUPACN,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide
SMILESC/C=C/c1c(-c2ccc(CCCCC)cc2)[nH]c(=O)c(C(=O)Nc2ccc(C)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C34H36N2O2/c1-5-7-8-10-25-15-19-27(20-16-25)32-29(9-6-2)30(26-17-11-23(3)12-18-26)31(34(38)36-32)33(37)35-28-21-13-24(4)14-22-28/h6,9,11-22H,5,7-8,10H2,1-4H3,(H,35,37)(H,36,38)/b9-6+
InChIKeyXTMRXMMOTJKHCG-RMKNXTFCSA-N
MW504.67 g/mol
LogP8.34
Rot. Bonds9

About N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide

N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide (PubChem CID 129064652) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol. Its IUPAC name is N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide
PubChem CID129064652
Molecular FormulaC34H36N2O2
Molecular Weight504.67 g/mol
Exact Mass504.28
IUPAC NameN,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide
SMILESC/C=C/c1c(-c2ccc(CCCCC)cc2)[nH]c(=O)c(C(=O)Nc2ccc(C)cc2)c1-c1ccc(C)cc1
InChIInChI=1S/C34H36N2O2/c1-5-7-8-10-25-15-19-27(20-16-25)32-29(9-6-2)30(26-17-11-23(3)12-18-26)31(34(38)36-32)33(37)35-28-21-13-24(4)14-22-28/h6,9,11-22H,5,7-8,10H2,1-4H3,(H,35,37)(H,36,38)/b9-6+
InChIKeyXTMRXMMOTJKHCG-RMKNXTFCSA-N
XLogP8.34
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.67
LogP ≤ 58.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-N-(4-methylphenyl)benzamide;prop-1-ene
CID 142028227
2-(methylamino)-N-(4-pentylphenyl)acetamide
CID 61249144
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CID 169406597
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-(4-heptylphenyl)heptanamide
CID 101077737
N-(4-butylphenyl)-4-(4-methylphenoxy)benzamide
CID 16651108
6-oxo-N-(4-pentylphenyl)-1H-pyridine-3-carboxamide
CID 60630583
2-acetyl-N-(4-butylphenyl)-4-hydroxy-3-methyl-6-oxo-7H-thieno[2,3-b]pyridine-5-carboxamide
CID 54733512
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-pentylbenzamide
CID 46890697
1-methyl-4-octylbenzene
CID 11052746

Frequently Asked Questions

What is the IUPAC name of N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide (CID 129064652) is N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide is C/C=C/c1c(-c2ccc(CCCCC)cc2)[nH]c(=O)c(C(=O)Nc2ccc(C)cc2)c1-c1ccc(C)cc1.
What is the InChIKey of N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide?
The InChIKey is XTMRXMMOTJKHCG-RMKNXTFCSA-N. The full InChI is InChI=1S/C34H36N2O2/c1-5-7-8-10-25-15-19-27(20-16-25)32-29(9-6-2)30(26-17-11-23(3)12-18-26)31(34(38)36-32)33(37)35-28-21-13-24(4)14-22-28/h6,9,11-22H,5,7-8,10H2,1-4H3,(H,35,37)(H,36,38)/b9-6+.
What are the key properties of N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide?
N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide has a molecular weight of 504.67 g/mol, XLogP of 8.34, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129064652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).