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

C23H21N3O3 — CID 118709562

IUPACN-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cccc(NC(C)=O)c4)cc23)cc1OC
InChIInChI=1S/C23H21N3O3/c1-14(27)26-18-6-4-5-15(9-18)17-10-19-20(13-25-23(19)24-12-17)16-7-8-21(28-2)22(11-16)29-3/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyNXCMMCKLONCPCK-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.87
Rot. Bonds5

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

N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (PubChem CID 118709562) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
PubChem CID118709562
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cccc(NC(C)=O)c4)cc23)cc1OC
InChIInChI=1S/C23H21N3O3/c1-14(27)26-18-6-4-5-15(9-18)17-10-19-20(13-25-23(19)24-12-17)16-7-8-21(28-2)22(11-16)29-3/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyNXCMMCKLONCPCK-UHFFFAOYSA-N
XLogP4.87
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The IUPAC name of N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide (CID 118709562) is N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is COc1ccc(-c2c[nH]c3ncc(-c4cccc(NC(C)=O)c4)cc23)cc1OC.
What is the InChIKey of N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
The InChIKey is NXCMMCKLONCPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14(27)26-18-6-4-5-15(9-18)17-10-19-20(13-25-23(19)24-12-17)16-7-8-21(28-2)22(11-16)29-3/h4-13H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide?
N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide is sourced from PubChem (CID 118709562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).