1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide

C21H29N3O4 — CID 108800339

IUPAC1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCN1CC(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)CC1=O
InChIInChI=1S/C21H29N3O4/c1-21(2)12-17(25)16-11-15(6-7-18(16)28-21)22-20(27)14-10-19(26)24(13-14)9-5-8-23(3)4/h6-7,11,14H,5,8-10,12-13H2,1-4H3,(H,22,27)
InChIKeyWGZRYVAVJCEZFS-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.17
Rot. Bonds6

About 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide

1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108800339) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108800339
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)CCCN1CC(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)CC1=O
InChIInChI=1S/C21H29N3O4/c1-21(2)12-17(25)16-11-15(6-7-18(16)28-21)22-20(27)14-10-19(26)24(13-14)9-5-8-23(3)4/h6-7,11,14H,5,8-10,12-13H2,1-4H3,(H,22,27)
InChIKeyWGZRYVAVJCEZFS-UHFFFAOYSA-N
XLogP2.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(dimethylamino)propyl]-N-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 108787329
1-[3-(dimethylamino)propyl]-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108800213
1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787281
N-(4-anilinophenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108787376
1-[3-(dimethylamino)propyl]-5-oxo-N-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 108800352
propyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 108800269
1'-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108810019
1-[3-(dimethylamino)propyl]-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 108787269
N-(2-acetylphenyl)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
CID 108800377
methyl 4-[[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]amino]-3-hydroxybenzoate
CID 108800381
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
N-(6-amino-3-pyridinyl)-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119515789

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 108800339) is 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide is CN(C)CCCN1CC(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)CC1=O.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WGZRYVAVJCEZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-21(2)12-17(25)16-11-15(6-7-18(16)28-21)22-20(27)14-10-19(26)24(13-14)9-5-8-23(3)4/h6-7,11,14H,5,8-10,12-13H2,1-4H3,(H,22,27).
What are the key properties of 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide?
1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108800339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).