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

C23H20N4O3 — CID 11646996

IUPACN-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cnc2[nH]c(-c3cccc(NC(C)=O)c3)cc2c1
InChIInChI=1S/C23H20N4O3/c1-14(28)25-17-7-5-6-15(10-17)20-12-16-11-18(13-24-22(16)27-20)26-23(29)19-8-3-4-9-21(19)30-2/h3-13H,1-2H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyCPOQLGAEUYOHIB-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.45
Rot. Bonds5

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

N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide (PubChem CID 11646996) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide
PubChem CID11646996
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC NameN-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cnc2[nH]c(-c3cccc(NC(C)=O)c3)cc2c1
InChIInChI=1S/C23H20N4O3/c1-14(28)25-17-7-5-6-15(10-17)20-12-16-11-18(13-24-22(16)27-20)26-23(29)19-8-3-4-9-21(19)30-2/h3-13H,1-2H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyCPOQLGAEUYOHIB-UHFFFAOYSA-N
XLogP4.45
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 112988294
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CID 2996600
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]benzamide
CID 108933228
N-[6-(3-acetylanilino)-3-pyridinyl]-2-methoxybenzamide
CID 113020316
potassium;2-methylpropan-2-olate;N-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
CID 158847046
propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 11581473
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517
N-[3-[(2-methoxybenzoyl)amino]phenyl]-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 46995504
N-[3-(hydroxymethyl)phenyl]-2-methoxybenzamide
CID 51891435
2-methoxy-N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 4201345
3,4-dimethyl-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[1,5-b]pyridazine-5-carboxamide
CID 175421408
2-methoxy-N-[4-[4-[(2-methoxybenzoyl)amino]phenyl]phenyl]benzamide
CID 3299583

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide (CID 11646996) is N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cnc2[nH]c(-c3cccc(NC(C)=O)c3)cc2c1.
What is the InChIKey of N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide?
The InChIKey is CPOQLGAEUYOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-14(28)25-17-7-5-6-15(10-17)20-12-16-11-18(13-24-22(16)27-20)26-23(29)19-8-3-4-9-21(19)30-2/h3-13H,1-2H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide?
N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide has a molecular weight of 400.44 g/mol, XLogP of 4.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 11646996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).