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

C22H20N4O3 — CID 134806717

IUPACN-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCOc1cccc(NC(=O)Cc2c[nH]c3ncc(-c4cccnc4OC)cc23)c1
InChIInChI=1S/C22H20N4O3/c1-28-17-6-3-5-16(11-17)26-20(27)10-15-13-25-21-19(15)9-14(12-24-21)18-7-4-8-23-22(18)29-2/h3-9,11-13H,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyXRNWGFFMMYYVAB-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.82
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 134806717) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID134806717
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESCOc1cccc(NC(=O)Cc2c[nH]c3ncc(-c4cccnc4OC)cc23)c1
InChIInChI=1S/C22H20N4O3/c1-28-17-6-3-5-16(11-17)26-20(27)10-15-13-25-21-19(15)9-14(12-24-21)18-7-4-8-23-22(18)29-2/h3-9,11-13H,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyXRNWGFFMMYYVAB-UHFFFAOYSA-N
XLogP3.82
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 134806717) is N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is COc1cccc(NC(=O)Cc2c[nH]c3ncc(-c4cccnc4OC)cc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is XRNWGFFMMYYVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-28-17-6-3-5-16(11-17)26-20(27)10-15-13-25-21-19(15)9-14(12-24-21)18-7-4-8-23-22(18)29-2/h3-9,11-13H,10H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 388.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[5-(2-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 134806717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).