3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide

C24H33N3O4 — CID 46902784

IUPAC3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C(CC(=O)NC2CC2)C1
InChIInChI=1S/C24H33N3O4/c1-5-26(6-2)24(30)21-13-18(14-22(28)25-19-9-10-19)23(29)27(16(21)3)15-17-7-11-20(31-4)12-8-17/h7-8,11-12,18-19H,5-6,9-10,13-15H2,1-4H3,(H,25,28)
InChIKeyIDGCGFVYRFHCIN-UHFFFAOYSA-N
MW427.55 g/mol
LogP2.85
Rot. Bonds9

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

3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (PubChem CID 46902784) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
PubChem CID46902784
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C(CC(=O)NC2CC2)C1
InChIInChI=1S/C24H33N3O4/c1-5-26(6-2)24(30)21-13-18(14-22(28)25-19-9-10-19)23(29)27(16(21)3)15-17-7-11-20(31-4)12-8-17/h7-8,11-12,18-19H,5-6,9-10,13-15H2,1-4H3,(H,25,28)
InChIKeyIDGCGFVYRFHCIN-UHFFFAOYSA-N
XLogP2.85
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904269
1-butyl-3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904279
3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1-[(4-methoxyphenyl)methyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46902858
N-cyclohexyl-2-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124863994
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 91823638
N-cyclopropyl-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531992
N-(1-benzylpiperidin-4-yl)-2-[(4S)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75490538
3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
N-[4-(ethylamino)cyclohexyl]-2-(4-methoxyphenyl)acetamide
CID 43653285
2-(cyclopropylamino)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 54872668
methyl 1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
CID 754863
N-cyclopropyl-2-[(1R,5S)-3-[(4-methoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-6-yl]acetamide
CID 133117353

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide (CID 46902784) is 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)C(CC(=O)NC2CC2)C1.
What is the InChIKey of 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
The InChIKey is IDGCGFVYRFHCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-5-26(6-2)24(30)21-13-18(14-22(28)25-19-9-10-19)23(29)27(16(21)3)15-17-7-11-20(31-4)12-8-17/h7-8,11-12,18-19H,5-6,9-10,13-15H2,1-4H3,(H,25,28).
What are the key properties of 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide?
3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopropylamino)-2-oxoethyl]-N,N-diethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46902784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).