N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide

C14H12N4O — CID 118249297

IUPACN-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccn1
InChIInChI=1S/C14H12N4O/c1-9(19)18-13-7-10(2-4-15-13)12-6-11-3-5-16-14(11)17-8-12/h2-8H,1H3,(H,16,17)(H,15,18,19)
InChIKeyZJELLDGZTHKACS-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.58
Rot. Bonds2

About N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide

N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide (PubChem CID 118249297) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide
PubChem CID118249297
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccn1
InChIInChI=1S/C14H12N4O/c1-9(19)18-13-7-10(2-4-15-13)12-6-11-3-5-16-14(11)17-8-12/h2-8H,1H3,(H,16,17)(H,15,18,19)
InChIKeyZJELLDGZTHKACS-UHFFFAOYSA-N
XLogP2.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide?
The IUPAC name of N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide (CID 118249297) is N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccn1.
What is the InChIKey of N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide?
The InChIKey is ZJELLDGZTHKACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9(19)18-13-7-10(2-4-15-13)12-6-11-3-5-16-14(11)17-8-12/h2-8H,1H3,(H,16,17)(H,15,18,19).
What are the key properties of N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide?
N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide has a molecular weight of 252.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]acetamide is sourced from PubChem (CID 118249297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).