3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C24H29N3O5 — CID 46902858

IUPAC3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCOc1ccc(CN2C(=O)C(CC(=O)NCc3ccco3)CC(C(=O)N(C)C)=C2C)cc1
InChIInChI=1S/C24H29N3O5/c1-16-21(24(30)26(2)3)12-18(13-22(28)25-14-20-6-5-11-32-20)23(29)27(16)15-17-7-9-19(31-4)10-8-17/h5-11,18H,12-15H2,1-4H3,(H,25,28)
InChIKeyCNFVGTOFNGHETQ-UHFFFAOYSA-N
MW439.51 g/mol
LogP2.71
Rot. Bonds8

About 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide

3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46902858) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46902858
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCOc1ccc(CN2C(=O)C(CC(=O)NCc3ccco3)CC(C(=O)N(C)C)=C2C)cc1
InChIInChI=1S/C24H29N3O5/c1-16-21(24(30)26(2)3)12-18(13-22(28)25-14-20-6-5-11-32-20)23(29)27(16)15-17-7-9-19(31-4)10-8-17/h5-11,18H,12-15H2,1-4H3,(H,25,28)
InChIKeyCNFVGTOFNGHETQ-UHFFFAOYSA-N
XLogP2.71
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904922
1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359322
3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46902784
N-(furan-2-ylmethyl)-3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 51835059
N-(furan-2-ylmethyl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491512
1-[(4-tert-butylphenyl)methyl]-3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904916
2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 53299434
1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904917
2-[(4R)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 99871043
2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 18087125
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 8770402
2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 124864442

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46902858) is 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is COc1ccc(CN2C(=O)C(CC(=O)NCc3ccco3)CC(C(=O)N(C)C)=C2C)cc1.
What is the InChIKey of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is CNFVGTOFNGHETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-16-21(24(30)26(2)3)12-18(13-22(28)25-14-20-6-5-11-32-20)23(29)27(16)15-17-7-9-19(31-4)10-8-17/h5-11,18H,12-15H2,1-4H3,(H,25,28).
What are the key properties of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46902858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).