1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

C23H30N4O2 — CID 113189751

IUPAC1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)N(C)CCc3ccncc3)CC2=O)cc1
InChIInChI=1S/C23H30N4O2/c1-4-26(5-2)20-6-8-21(9-7-20)27-17-19(16-22(27)28)23(29)25(3)15-12-18-10-13-24-14-11-18/h6-11,13-14,19H,4-5,12,15-17H2,1-3H3
InChIKeyMDNCJIWKAJBIKK-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.98
Rot. Bonds8

About 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide

1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (PubChem CID 113189751) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
PubChem CID113189751
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2CC(C(=O)N(C)CCc3ccncc3)CC2=O)cc1
InChIInChI=1S/C23H30N4O2/c1-4-26(5-2)20-6-8-21(9-7-20)27-17-19(16-22(27)28)23(29)25(3)15-12-18-10-13-24-14-11-18/h6-11,13-14,19H,4-5,12,15-17H2,1-3H3
InChIKeyMDNCJIWKAJBIKK-UHFFFAOYSA-N
XLogP2.98
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 113186754
N-methyl-5-oxo-1-(2-phenylethyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113184178
N-methyl-5-oxo-1-(3-phenylpropyl)-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide
CID 113185294
1-(4-acetamidophenyl)-N-butyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113189096
1-[4-(diethylamino)phenyl]-N-ethyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189808
(3R)-N'-[4-(diethylamino)benzoyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 9155875
N-butyl-N-methyl-5-oxo-1-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 113189877
1-(4-chlorophenyl)-N-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 108787236
1-[4-(diethylamino)phenyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113189756
N-butyl-1-(3,4-dichlorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 113190903
N,N-diethyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84504205
N-(4-acetylphenyl)-1-[4-(diethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113189799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide (CID 113189751) is 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is CCN(CC)c1ccc(N2CC(C(=O)N(C)CCc3ccncc3)CC2=O)cc1.
What is the InChIKey of 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
The InChIKey is MDNCJIWKAJBIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-4-26(5-2)20-6-8-21(9-7-20)27-17-19(16-22(27)28)23(29)25(3)15-12-18-10-13-24-14-11-18/h6-11,13-14,19H,4-5,12,15-17H2,1-3H3.
What are the key properties of 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide?
1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)phenyl]-N-methyl-5-oxo-N-(2-pyridin-4-ylethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113189751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).