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

C23H21N3O4 — CID 155516654

IUPACN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1
InChIInChI=1S/C23H21N3O4/c1-28-17-7-4-14(5-8-17)23(27)26-19-13-25-22-18(19)10-16(12-24-22)15-6-9-20(29-2)21(11-15)30-3/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyIZSNKSLNXHIUPV-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.51
Rot. Bonds6

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

N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide (PubChem CID 155516654) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide
PubChem CID155516654
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1
InChIInChI=1S/C23H21N3O4/c1-28-17-7-4-14(5-8-17)23(27)26-19-13-25-22-18(19)10-16(12-24-22)15-6-9-20(29-2)21(11-15)30-3/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyIZSNKSLNXHIUPV-UHFFFAOYSA-N
XLogP4.51
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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]-4-methoxybenzamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide (CID 155516654) is N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide?
The InChIKey is IZSNKSLNXHIUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-28-17-7-4-14(5-8-17)23(27)26-19-13-25-22-18(19)10-16(12-24-22)15-6-9-20(29-2)21(11-15)30-3/h4-13H,1-3H3,(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]-4-methoxybenzamide?
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methoxybenzamide has a molecular weight of 403.44 g/mol, XLogP of 4.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 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]-4-methoxybenzamide is sourced from PubChem (CID 155516654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).