N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C22H28N4O5 — CID 46417928

IUPACN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3ccnc(N(C)C)c3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C22H28N4O5/c1-25(2)19-8-14(6-7-23-19)12-24-22(28)15-9-20(27)26(13-15)16-10-17(29-3)21(31-5)18(11-16)30-4/h6-8,10-11,15H,9,12-13H2,1-5H3,(H,24,28)
InChIKeyYFFYGHUWYOZATH-UHFFFAOYSA-N
MW428.49 g/mol
LogP1.84
Rot. Bonds8

About N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 46417928) has the molecular formula C22H28N4O5 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID46417928
Molecular FormulaC22H28N4O5
Molecular Weight428.49 g/mol
Exact Mass428.21
IUPAC NameN-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NCc3ccnc(N(C)C)c3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C22H28N4O5/c1-25(2)19-8-14(6-7-23-19)12-24-22(28)15-9-20(27)26(13-15)16-10-17(29-3)21(31-5)18(11-16)30-4/h6-8,10-11,15H,9,12-13H2,1-5H3,(H,24,28)
InChIKeyYFFYGHUWYOZATH-UHFFFAOYSA-N
XLogP1.84
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682
N-(furan-3-ylmethyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55702367
(3R)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 94147067
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
1-(3,4-dimethoxyphenyl)-5-oxo-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 55567039
N-[(2-methylphenyl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 113190723
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 47729955
5-oxo-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55780754
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-[[4-(dimethylamino)pyrimidin-2-yl]methyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 122322510
1-(2-methoxyphenyl)-5-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 24624650
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46587014

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 46417928) is N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is COc1cc(N2CC(C(=O)NCc3ccnc(N(C)C)c3)CC2=O)cc(OC)c1OC.
What is the InChIKey of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is YFFYGHUWYOZATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O5/c1-25(2)19-8-14(6-7-23-19)12-24-22(28)15-9-20(27)26(13-15)16-10-17(29-3)21(31-5)18(11-16)30-4/h6-8,10-11,15H,9,12-13H2,1-5H3,(H,24,28).
What are the key properties of N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46417928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).