N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide

C20H19BrN2O4 — CID 46831213

IUPACN-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
SMILESCOc1cc(Br)c(NC(=O)N2C=CC(=O)CC2c2ccccc2)cc1OC
InChIInChI=1S/C20H19BrN2O4/c1-26-18-11-15(21)16(12-19(18)27-2)22-20(25)23-9-8-14(24)10-17(23)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,25)
InChIKeyFEZSKQOJEHFKSV-UHFFFAOYSA-N
MW431.29 g/mol
LogP4.53
Rot. Bonds4

About N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide

N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide (PubChem CID 46831213) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
PubChem CID46831213
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC NameN-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide
SMILESCOc1cc(Br)c(NC(=O)N2C=CC(=O)CC2c2ccccc2)cc1OC
InChIInChI=1S/C20H19BrN2O4/c1-26-18-11-15(21)16(12-19(18)27-2)22-20(25)23-9-8-14(24)10-17(23)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,25)
InChIKeyFEZSKQOJEHFKSV-UHFFFAOYSA-N
XLogP4.53
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide?
The IUPAC name of N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide (CID 46831213) is N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide.
What is the SMILES notation for N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide?
The canonical SMILES for N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide is COc1cc(Br)c(NC(=O)N2C=CC(=O)CC2c2ccccc2)cc1OC.
What is the InChIKey of N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide?
The InChIKey is FEZSKQOJEHFKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c1-26-18-11-15(21)16(12-19(18)27-2)22-20(25)23-9-8-14(24)10-17(23)13-6-4-3-5-7-13/h3-9,11-12,17H,10H2,1-2H3,(H,22,25).
What are the key properties of N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide?
N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide has a molecular weight of 431.29 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4,5-dimethoxyphenyl)-4-oxo-2-phenyl-2,3-dihydropyridine-1-carboxamide is sourced from PubChem (CID 46831213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).