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

C23H21N3O3 — CID 155556093

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(-c2cnc3[nH]cc(NC(=O)Cc4ccccc4)c3c2)cc1OC
InChIInChI=1S/C23H21N3O3/c1-28-20-9-8-16(12-21(20)29-2)17-11-18-19(14-25-23(18)24-13-17)26-22(27)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyWVACAFMWZWKZSG-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.43
Rot. Bonds6

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

N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide (PubChem CID 155556093) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide
PubChem CID155556093
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide
SMILESCOc1ccc(-c2cnc3[nH]cc(NC(=O)Cc4ccccc4)c3c2)cc1OC
InChIInChI=1S/C23H21N3O3/c1-28-20-9-8-16(12-21(20)29-2)17-11-18-19(14-25-23(18)24-13-17)26-22(27)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyWVACAFMWZWKZSG-UHFFFAOYSA-N
XLogP4.43
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide (CID 155556093) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide is COc1ccc(-c2cnc3[nH]cc(NC(=O)Cc4ccccc4)c3c2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide?
The InChIKey is WVACAFMWZWKZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-28-20-9-8-16(12-21(20)29-2)17-11-18-19(14-25-23(18)24-13-17)26-22(27)10-15-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide has a molecular weight of 387.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-phenylacetamide is sourced from PubChem (CID 155556093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).