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

C20H29N3O5 — CID 46904922

IUPAC3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCOCCCN1C(=O)C(CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C
InChIInChI=1S/C20H29N3O5/c1-14-17(20(26)22(2)3)11-15(19(25)23(14)8-6-9-27-4)12-18(24)21-13-16-7-5-10-28-16/h5,7,10,15H,6,8-9,11-13H2,1-4H3,(H,21,24)
InChIKeyDDZYLKKIYHRINY-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.53
Rot. Bonds9

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

3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46904922) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46904922
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC Name3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCOCCCN1C(=O)C(CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C
InChIInChI=1S/C20H29N3O5/c1-14-17(20(26)22(2)3)11-15(19(25)23(14)8-6-9-27-4)12-18(24)21-13-16-7-5-10-28-16/h5,7,10,15H,6,8-9,11-13H2,1-4H3,(H,21,24)
InChIKeyDDZYLKKIYHRINY-UHFFFAOYSA-N
XLogP1.53
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46902858
2-[5-(azepane-1-carbonyl)-1-butyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 53299434
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
N'-(furan-2-ylmethyl)-N-(3-methoxypropyl)propanediamide
CID 108943248
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide
CID 3229603
N-(furan-2-ylmethyl)-2-(2-methoxyethylamino)acetamide;oxalic acid
CID 175652948
2-(azetidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 64616126
2-[(3R,3aS,6aS)-5-(2-methoxyethyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]-N-(furan-2-ylmethyl)acetamide
CID 97487256
(3R)-N-(furan-2-ylmethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94045963
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-[(3aS,7R,7aR)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 134690538
1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 42926300

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46904922) is 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-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-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is COCCCN1C(=O)C(CC(=O)NCc2ccco2)CC(C(=O)N(C)C)=C1C.
What is the InChIKey of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is DDZYLKKIYHRINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-14-17(20(26)22(2)3)11-15(19(25)23(14)8-6-9-27-4)12-18(24)21-13-16-7-5-10-28-16/h5,7,10,15H,6,8-9,11-13H2,1-4H3,(H,21,24).
What are the key properties of 3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 1.53, 9 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-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46904922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).