1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide

C25H34N4O3 — CID 91957713

IUPAC1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(CN2CCCC2)CCOCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H34N4O3/c30-23-8-7-22(29(23)16-19-15-26-21-6-2-1-5-20(19)21)24(31)27-17-25(9-13-32-14-10-25)18-28-11-3-4-12-28/h1-2,5-6,15,22,26H,3-4,7-14,16-18H2,(H,27,31)
InChIKeyGYHASWXRWUDCEF-UHFFFAOYSA-N
MW438.57 g/mol
LogP2.67
Rot. Bonds7

About 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide

1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 91957713) has the molecular formula C25H34N4O3 and a molecular weight of 438.57 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID91957713
Molecular FormulaC25H34N4O3
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC Name1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1(CN2CCCC2)CCOCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C25H34N4O3/c30-23-8-7-22(29(23)16-19-15-26-21-6-2-1-5-20(19)21)24(31)27-17-25(9-13-32-14-10-25)18-28-11-3-4-12-28/h1-2,5-6,15,22,26H,3-4,7-14,16-18H2,(H,27,31)
InChIKeyGYHASWXRWUDCEF-UHFFFAOYSA-N
XLogP2.67
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683
1-(1H-indol-3-ylmethyl)-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 91955824
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585
N-[3-(2-chlorophenyl)-3-hydroxypropyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955675
1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955626
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955596
N-(1,3-benzothiazol-2-yl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955809
1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 91955666

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide (CID 91957713) is 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide is O=C(NCC1(CN2CCCC2)CCOCC1)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is GYHASWXRWUDCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3/c30-23-8-7-22(29(23)16-19-15-26-21-6-2-1-5-20(19)21)24(31)27-17-25(9-13-32-14-10-25)18-28-11-3-4-12-28/h1-2,5-6,15,22,26H,3-4,7-14,16-18H2,(H,27,31).
What are the key properties of 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide?
1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 438.57 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-5-oxo-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 91957713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).