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

C25H43N5O4 — CID 46903238

IUPAC3-[2-[3-(dimethylamino)propylamino]-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)NCCCN(C)C)C1
InChIInChI=1S/C25H43N5O4/c1-6-28(7-2)25(34)21-17-20(18-22(31)26-12-9-13-27(4)5)24(33)30(19(21)3)16-10-15-29-14-8-11-23(29)32/h20H,6-18H2,1-5H3,(H,26,31)
InChIKeyKFZAGHLDNBGRGD-UHFFFAOYSA-N
MW477.65 g/mol
LogP1.45
Rot. Bonds13

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

3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide (PubChem CID 46903238) has the molecular formula C25H43N5O4 and a molecular weight of 477.65 g/mol. Its IUPAC name is 3-[2-[3-(dimethylamino)propylamino]-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-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide
PubChem CID46903238
Molecular FormulaC25H43N5O4
Molecular Weight477.65 g/mol
Exact Mass477.33
IUPAC Name3-[2-[3-(dimethylamino)propylamino]-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)NCCCN(C)C)C1
InChIInChI=1S/C25H43N5O4/c1-6-28(7-2)25(34)21-17-20(18-22(31)26-12-9-13-27(4)5)24(33)30(19(21)3)16-10-15-29-14-8-11-23(29)32/h20H,6-18H2,1-5H3,(H,26,31)
InChIKeyKFZAGHLDNBGRGD-UHFFFAOYSA-N
XLogP1.45
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.65
LogP ≤ 51.45
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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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(dimethylamino)propylamino]-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-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide (CID 46903238) is 3-[2-[3-(dimethylamino)propylamino]-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-[3-(dimethylamino)propylamino]-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-[3-(dimethylamino)propylamino]-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)NCCCN(C)C)C1.
What is the InChIKey of 3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
The InChIKey is KFZAGHLDNBGRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N5O4/c1-6-28(7-2)25(34)21-17-20(18-22(31)26-12-9-13-27(4)5)24(33)30(19(21)3)16-10-15-29-14-8-11-23(29)32/h20H,6-18H2,1-5H3,(H,26,31).
What are the key properties of 3-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-N,N-diethyl-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridine-5-carboxamide?
3-[2-[3-(dimethylamino)propylamino]-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 477.65 g/mol, XLogP of 1.45, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(dimethylamino)propylamino]-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 46903238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).