5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

C14H16N4O2 — CID 168697287

IUPAC5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCc2c[nH]c3ncccc23)C1
InChIInChI=1S/C14H16N4O2/c15-13(20)10-6-12(19)18(8-10)5-3-9-7-17-14-11(9)2-1-4-16-14/h1-2,4,7,10H,3,5-6,8H2,(H2,15,20)(H,16,17)
InChIKeyPGDKICVKRKKYPT-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.44
Rot. Bonds4

About 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide

5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 168697287) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID168697287
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(CCc2c[nH]c3ncccc23)C1
InChIInChI=1S/C14H16N4O2/c15-13(20)10-6-12(19)18(8-10)5-3-9-7-17-14-11(9)2-1-4-16-14/h1-2,4,7,10H,3,5-6,8H2,(H2,15,20)(H,16,17)
InChIKeyPGDKICVKRKKYPT-UHFFFAOYSA-N
XLogP0.44
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 168697414
methyl 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxylate
CID 168694180
1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
CID 168709524
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212
S-[[5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168667793
(1R,5S)-8-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 100627987
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696642
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184900
5-oxo-1-(2-sulfanylethyl)pyrrolidine-3-carboxamide
CID 168697255
1-[2-(4-bromophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 168697270
5-oxo-1-(2-pyrimidin-5-ylethyl)pyrrolidine-3-carboxamide
CID 168697321
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide (CID 168697287) is 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(CCc2c[nH]c3ncccc23)C1.
What is the InChIKey of 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is PGDKICVKRKKYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-13(20)10-6-12(19)18(8-10)5-3-9-7-17-14-11(9)2-1-4-16-14/h1-2,4,7,10H,3,5-6,8H2,(H2,15,20)(H,16,17).
What are the key properties of 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide?
5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).