N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide

C15H13N3O — CID 11999608

IUPACN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C15H13N3O/c1-10(19)18-12-4-2-11(3-5-12)13-6-8-16-15-14(13)7-9-17-15/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyQEUXBJNLUFUYRA-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.19
Rot. Bonds2

About N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide

N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide (PubChem CID 11999608) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
PubChem CID11999608
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC NameN-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1
InChIInChI=1S/C15H13N3O/c1-10(19)18-12-4-2-11(3-5-12)13-6-8-16-15-14(13)7-9-17-15/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyQEUXBJNLUFUYRA-UHFFFAOYSA-N
XLogP3.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The IUPAC name of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide (CID 11999608) is N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The canonical SMILES for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide is CC(=O)Nc1ccc(-c2ccnc3[nH]ccc23)cc1.
What is the InChIKey of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
The InChIKey is QEUXBJNLUFUYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10(19)18-12-4-2-11(3-5-12)13-6-8-16-15-14(13)7-9-17-15/h2-9H,1H3,(H,16,17)(H,18,19).
What are the key properties of N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide?
N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide has a molecular weight of 251.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide is sourced from PubChem (CID 11999608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).