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

C13H14N4O2 — CID 168697414

IUPAC5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C13H14N4O2/c14-12(19)8-4-11(18)17(6-8)7-9-5-16-13-10(9)2-1-3-15-13/h1-3,5,8H,4,6-7H2,(H2,14,19)(H,15,16)
InChIKeyBGRWFHZTYJBIRK-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.40
Rot. Bonds3

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

5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 168697414) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID168697414
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2c[nH]c3ncccc23)C1
InChIInChI=1S/C13H14N4O2/c14-12(19)8-4-11(18)17(6-8)7-9-5-16-13-10(9)2-1-3-15-13/h1-3,5,8H,4,6-7H2,(H2,14,19)(H,15,16)
InChIKeyBGRWFHZTYJBIRK-UHFFFAOYSA-N
XLogP0.40
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxamide
CID 168697287
1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-4-sulfanylpyrrolidin-2-one
CID 168709524
S-[[5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidin-3-yl]methyl] ethanethioate
CID 168667793
methyl 5-oxo-1-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]pyrrolidine-3-carboxylate
CID 168694180
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696642
1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 168697461
(1R,5S)-8-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-one
CID 100627987
5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 168697470
5-oxo-1-[(2-phenoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 168697402
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[(4-methylphenyl)methyl]-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylsulfonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 55975249
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697391

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 168697414) is 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(Cc2c[nH]c3ncccc23)C1.
What is the InChIKey of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is BGRWFHZTYJBIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-12(19)8-4-11(18)17(6-8)7-9-5-16-13-10(9)2-1-3-15-13/h1-3,5,8H,4,6-7H2,(H2,14,19)(H,15,16).
What are the key properties of 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).