1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

C23H28N4O4 — CID 55567039

IUPAC1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccnc(N4CCCC4)c3)CC2=O)cc1OC
InChIInChI=1S/C23H28N4O4/c1-30-19-6-5-18(13-20(19)31-2)27-15-17(12-22(27)28)23(29)25-14-16-7-8-24-21(11-16)26-9-3-4-10-26/h5-8,11,13,17H,3-4,9-10,12,14-15H2,1-2H3,(H,25,29)
InChIKeyNVGBICMVNCGHAR-UHFFFAOYSA-N
MW424.50 g/mol
LogP2.37
Rot. Bonds7

About 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide

1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (PubChem CID 55567039) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
PubChem CID55567039
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
SMILESCOc1ccc(N2CC(C(=O)NCc3ccnc(N4CCCC4)c3)CC2=O)cc1OC
InChIInChI=1S/C23H28N4O4/c1-30-19-6-5-18(13-20(19)31-2)27-15-17(12-22(27)28)23(29)25-14-16-7-8-24-21(11-16)26-9-3-4-10-26/h5-8,11,13,17H,3-4,9-10,12,14-15H2,1-2H3,(H,25,29)
InChIKeyNVGBICMVNCGHAR-UHFFFAOYSA-N
XLogP2.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)-5-oxo-N-[(4-pyrrolidin-1-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 46433351
(3R)-1-methyl-5-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 97311922
3-[[[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125148351
1-(2-methoxyethyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 51077316
1-(4-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113187460
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55747251
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46417928
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 110620533
5-[[[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 119246300
1-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 55815159
1-(3,4-dimethoxyphenyl)-N-[(2,4-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46586700
1-(3,4-dimethoxyphenyl)-5-oxo-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 55751622

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide (CID 55567039) is 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is COc1ccc(N2CC(C(=O)NCc3ccnc(N4CCCC4)c3)CC2=O)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is NVGBICMVNCGHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-30-19-6-5-18(13-20(19)31-2)27-15-17(12-22(27)28)23(29)25-14-16-7-8-24-21(11-16)26-9-3-4-10-26/h5-8,11,13,17H,3-4,9-10,12,14-15H2,1-2H3,(H,25,29).
What are the key properties of 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide?
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 55567039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).