1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

C27H35N3O4 — CID 51359322

IUPAC1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C(C)C)C(C)C)CC(CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H35N3O4/c1-18(2)30(19(3)4)27(33)24-14-22(15-25(31)28-16-23-12-9-13-34-23)26(32)29(20(24)5)17-21-10-7-6-8-11-21/h6-13,18-19,22H,14-17H2,1-5H3,(H,28,31)
InChIKeyGEPPNINABQTBSO-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.25
Rot. Bonds9

About 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide

1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide (PubChem CID 51359322) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
PubChem CID51359322
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Name1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
SMILESCC1=C(C(=O)N(C(C)C)C(C)C)CC(CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C27H35N3O4/c1-18(2)30(19(3)4)27(33)24-14-22(15-25(31)28-16-23-12-9-13-34-23)26(32)29(20(24)5)17-21-10-7-6-8-11-21/h6-13,18-19,22H,14-17H2,1-5H3,(H,28,31)
InChIKeyGEPPNINABQTBSO-UHFFFAOYSA-N
XLogP4.25
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-(3-methoxypropyl)-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904922
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-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904269
2-[1-benzyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46903962
3-[2-(benzhydrylamino)-2-oxoethyl]-1-[(4-tert-butylphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904914
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 51359423
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
1-butyl-6-methyl-3-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 46904160
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(furan-2-ylmethyl)acetamide
CID 29136185
N-benzyl-2-(furan-2-ylmethylamino)acetamide
CID 43084380
1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359398

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 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) is 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C(C)C)C(C)C)CC(CC(=O)NCc2ccco2)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
The InChIKey is GEPPNINABQTBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-18(2)30(19(3)4)27(33)24-14-22(15-25(31)28-16-23-12-9-13-34-23)26(32)29(20(24)5)17-21-10-7-6-8-11-21/h6-13,18-19,22H,14-17H2,1-5H3,(H,28,31).
What are the key properties of 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide?
1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 51359322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).