2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide

C12H14N4O — CID 95843042

IUPAC2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide
SMILESNC(=O)CN1CC(c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C12H14N4O/c13-11(17)7-16-5-9(6-16)10-4-8-2-1-3-14-12(8)15-10/h1-4,9H,5-7H2,(H2,13,17)(H,14,15)
InChIKeyDQEVVZFIEVEVCP-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.45
Rot. Bonds3

About 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide

2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide (PubChem CID 95843042) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide
PubChem CID95843042
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide
SMILESNC(=O)CN1CC(c2cc3cccnc3[nH]2)C1
InChIInChI=1S/C12H14N4O/c13-11(17)7-16-5-9(6-16)10-4-8-2-1-3-14-12(8)15-10/h1-4,9H,5-7H2,(H2,13,17)(H,14,15)
InChIKeyDQEVVZFIEVEVCP-UHFFFAOYSA-N
XLogP0.45
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide?
The IUPAC name of 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide (CID 95843042) is 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide?
The canonical SMILES for 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide is NC(=O)CN1CC(c2cc3cccnc3[nH]2)C1.
What is the InChIKey of 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide?
The InChIKey is DQEVVZFIEVEVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c13-11(17)7-16-5-9(6-16)10-4-8-2-1-3-14-12(8)15-10/h1-4,9H,5-7H2,(H2,13,17)(H,14,15).
What are the key properties of 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide?
2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide has a molecular weight of 230.27 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)azetidin-1-yl]acetamide is sourced from PubChem (CID 95843042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).