N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

C23H27N3O3 — CID 21048003

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)n1
InChIInChI=1S/C23H27N3O3/c1-12-10-21(28-7)25-23(24-12)26-22(27)20-9-8-18(29-20)11-19-16(5)14(3)13(2)15(4)17(19)6/h8-10H,11H2,1-7H3,(H,24,25,26,27)
InChIKeyKXXCBXLBVWMMFZ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.77
Rot. Bonds5

About N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21048003) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
PubChem CID21048003
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCOc1cc(C)nc(NC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)n1
InChIInChI=1S/C23H27N3O3/c1-12-10-21(28-7)25-23(24-12)26-22(27)20-9-8-18(29-20)11-19-16(5)14(3)13(2)15(4)17(19)6/h8-10H,11H2,1-7H3,(H,24,25,26,27)
InChIKeyKXXCBXLBVWMMFZ-UHFFFAOYSA-N
XLogP4.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-(4,6-dimethylpyrimidin-2-yl)-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047850
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21048002
N-(4,6-dimethoxypyrimidin-2-yl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047840
N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047673
N-(2-methylquinolin-6-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047479
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)-5-methylbenzamide
CID 107600113
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-(methylamino)benzamide
CID 107603439
N-[4-(diethylamino)phenyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047933
5-[(4-bromo-2,3,5,6-tetramethylphenyl)methyl]-N-(2,6-dimethoxyphenyl)furan-2-carboxamide
CID 21046193
N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047425
2-(4-aminophenyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)acetamide
CID 107600198
6-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)pyridazine-3-carboxamide
CID 107605634

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (CID 21048003) is N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is COc1cc(C)nc(NC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is KXXCBXLBVWMMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-12-10-21(28-7)25-23(24-12)26-22(27)20-9-8-18(29-20)11-19-16(5)14(3)13(2)15(4)17(19)6/h8-10H,11H2,1-7H3,(H,24,25,26,27).
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).