3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide

C26H42N4O4 — CID 46903233

IUPAC3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)C(CC(=O)NC2CCCCC2)C1
InChIInChI=1S/C26H42N4O4/c1-4-28(5-2)26(34)22-17-20(18-23(31)27-21-11-7-6-8-12-21)25(33)30(19(22)3)16-10-15-29-14-9-13-24(29)32/h20-21H,4-18H2,1-3H3,(H,27,31)
InChIKeyBRLIFMVEJMEEPM-UHFFFAOYSA-N
MW474.65 g/mol
LogP2.83
Rot. Bonds10

About 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide

3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide (PubChem CID 46903233) has the molecular formula C26H42N4O4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
PubChem CID46903233
Molecular FormulaC26H42N4O4
Molecular Weight474.65 g/mol
Exact Mass474.32
IUPAC Name3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
SMILESCCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)C(CC(=O)NC2CCCCC2)C1
InChIInChI=1S/C26H42N4O4/c1-4-28(5-2)26(34)22-17-20(18-23(31)27-21-11-7-6-8-12-21)25(33)30(19(22)3)16-10-15-29-14-9-13-24(29)32/h20-21H,4-18H2,1-3H3,(H,27,31)
InChIKeyBRLIFMVEJMEEPM-UHFFFAOYSA-N
XLogP2.83
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide (CID 46903233) is 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide is CCN(CC)C(=O)C1=C(C)N(CCCN2CCCC2=O)C(=O)C(CC(=O)NC2CCCCC2)C1.
What is the InChIKey of 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
The InChIKey is BRLIFMVEJMEEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N4O4/c1-4-28(5-2)26(34)22-17-20(18-23(31)27-21-11-7-6-8-12-21)25(33)30(19(22)3)16-10-15-29-14-9-13-24(29)32/h20-21H,4-18H2,1-3H3,(H,27,31).
What are the key properties of 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide has a molecular weight of 474.65 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexylamino)-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 46903233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).