N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide

C23H26N2O3 — CID 23040477

IUPACN-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide
SMILESCCCc1c(C(=O)Nc2cccc(C)c2C)c(=O)cc(C)n1Cc1ccco1
InChIInChI=1S/C23H26N2O3/c1-5-8-20-22(23(27)24-19-11-6-9-15(2)17(19)4)21(26)13-16(3)25(20)14-18-10-7-12-28-18/h6-7,9-13H,5,8,14H2,1-4H3,(H,24,27)
InChIKeyDMBRLEQHDVRNDQ-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.62
Rot. Bonds6

About N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide

N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide (PubChem CID 23040477) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide
PubChem CID23040477
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide
SMILESCCCc1c(C(=O)Nc2cccc(C)c2C)c(=O)cc(C)n1Cc1ccco1
InChIInChI=1S/C23H26N2O3/c1-5-8-20-22(23(27)24-19-11-6-9-15(2)17(19)4)21(26)13-16(3)25(20)14-18-10-7-12-28-18/h6-7,9-13H,5,8,14H2,1-4H3,(H,24,27)
InChIKeyDMBRLEQHDVRNDQ-UHFFFAOYSA-N
XLogP4.62
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040280
N-(2,3-dimethylphenyl)-2-ethyl-6-methyl-1-[(4-methylphenyl)methyl]-4-oxopyridine-3-carboxamide
CID 23040750
N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040785
N-(2,3-dimethylphenyl)-2-(furan-2-yl)-6-methyl-4-oxo-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 23040772
N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide
CID 23040529
1-benzyl-N-(2-methylphenyl)-4-oxo-2,6-dipropylpyridine-3-carboxamide
CID 23037900
N-(2-chlorophenyl)-6-methyl-4-oxo-1-pentyl-2-propylpyridine-3-carboxamide
CID 23040962
N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
CID 8552527
1-(cyclohexylmethyl)-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
CID 23040938
1-[(4-chlorophenyl)methyl]-N-(2,3-dimethylphenyl)-6-methyl-2-(2-methylphenyl)-4-oxopyridine-3-carboxamide
CID 23040194
N-(2,3-dimethylphenyl)-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106397
N-(furan-2-ylmethyl)-6-methyl-4-oxo-2-(2-phenylethyl)-1-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 118756559

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide (CID 23040477) is N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide is CCCc1c(C(=O)Nc2cccc(C)c2C)c(=O)cc(C)n1Cc1ccco1.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide?
The InChIKey is DMBRLEQHDVRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-8-20-22(23(27)24-19-11-6-9-15(2)17(19)4)21(26)13-16(3)25(20)14-18-10-7-12-28-18/h6-7,9-13H,5,8,14H2,1-4H3,(H,24,27).
What are the key properties of N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide?
N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxo-2-propylpyridine-3-carboxamide is sourced from PubChem (CID 23040477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).