6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

C30H29ClN2O3 — CID 129064687

IUPAC6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCOc1ccc(-c2cc(-c3ccc(C)cc3)c(C(=O)Nc3ccc(C)cc3)c(=O)[nH]2)c(Cl)c1
InChIInChI=1S/C30H29ClN2O3/c1-4-5-16-36-23-14-15-24(26(31)17-23)27-18-25(21-10-6-19(2)7-11-21)28(30(35)33-27)29(34)32-22-12-8-20(3)9-13-22/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyYVIYCJOCZFIVNQ-UHFFFAOYSA-N
MW501.03 g/mol
LogP7.41
Rot. Bonds8

About 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide

6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 129064687) has the molecular formula C30H29ClN2O3 and a molecular weight of 501.03 g/mol. Its IUPAC name is 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID129064687
Molecular FormulaC30H29ClN2O3
Molecular Weight501.03 g/mol
Exact Mass500.19
IUPAC Name6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCCCCOc1ccc(-c2cc(-c3ccc(C)cc3)c(C(=O)Nc3ccc(C)cc3)c(=O)[nH]2)c(Cl)c1
InChIInChI=1S/C30H29ClN2O3/c1-4-5-16-36-23-14-15-24(26(31)17-23)27-18-25(21-10-6-19(2)7-11-21)28(30(35)33-27)29(34)32-22-12-8-20(3)9-13-22/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,34)(H,33,35)
InChIKeyYVIYCJOCZFIVNQ-UHFFFAOYSA-N
XLogP7.41
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 57.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-4-(4-methylphenyl)-2-oxo-6-[4-(4,4,4-trifluorobutoxy)phenyl]-1H-pyridine-3-carboxamide
CID 129050899
6-(4-butoxy-2-fluorophenyl)-4-(5-ethylthiophen-2-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide
CID 129064543
4-butoxy-N-[4-(5-chloro-6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 54858428
2-(4-butoxyphenoxy)-N-(4-methylphenyl)acetamide
CID 4732728
4-(1-benzothiophen-2-yl)-6-(4-butoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-N-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide;6-(4-butoxyphenyl)-4-(4-tert-butylphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one;4-(5-cyclopropylthiophen-2-yl)-6-(4-pentoxyphenyl)-3-(1H-1,2,4-triazol-5-yl)-1H-pyridin-2-one
CID 160662874
N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide
CID 58024544
3-(4-butoxyphenyl)-5-phenyl-1H-pyrrole-2-carboxylic acid
CID 70836257
2-chloro-5-hydroxy-N-(4-propoxyphenyl)benzamide
CID 106501743
2-chloro-4,5-difluoro-N-(4-pentoxyphenyl)benzamide
CID 600447
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
3-chloro-N-[4-(2-hydroxyethoxy)phenyl]-4-methylbenzamide
CID 111116205
N,4-bis(4-methylphenyl)-2-oxo-6-(4-pentylphenyl)-5-[(E)-prop-1-enyl]-1H-pyridine-3-carboxamide
CID 129064652

Frequently Asked Questions

What is the IUPAC name of 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide (CID 129064687) is 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is CCCCOc1ccc(-c2cc(-c3ccc(C)cc3)c(C(=O)Nc3ccc(C)cc3)c(=O)[nH]2)c(Cl)c1.
What is the InChIKey of 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YVIYCJOCZFIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN2O3/c1-4-5-16-36-23-14-15-24(26(31)17-23)27-18-25(21-10-6-19(2)7-11-21)28(30(35)33-27)29(34)32-22-12-8-20(3)9-13-22/h6-15,17-18H,4-5,16H2,1-3H3,(H,32,34)(H,33,35).
What are the key properties of 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide?
6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 501.03 g/mol, XLogP of 7.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-butoxy-2-chlorophenyl)-N,4-bis(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 129064687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).