2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid

C16H13N3O3 — CID 67007623

IUPAC2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
SMILESCc1ccc(C(=O)Nc2cnc3[nH]ccc3c2)cc1C(=O)O
InChIInChI=1S/C16H13N3O3/c1-9-2-3-11(7-13(9)16(21)22)15(20)19-12-6-10-4-5-17-14(10)18-8-12/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyHSXUZLNEIQZCTE-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.82
Rot. Bonds3

About 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid

2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid (PubChem CID 67007623) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
PubChem CID67007623
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid
SMILESCc1ccc(C(=O)Nc2cnc3[nH]ccc3c2)cc1C(=O)O
InChIInChI=1S/C16H13N3O3/c1-9-2-3-11(7-13(9)16(21)22)15(20)19-12-6-10-4-5-17-14(10)18-8-12/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChIKeyHSXUZLNEIQZCTE-UHFFFAOYSA-N
XLogP2.82
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoate
CID 68919681
4-tert-butyl-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70931081
5-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2-oxazole-3-carboxamide
CID 174936745
5-[benzoyl(morpholin-4-yl)amino]-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 91014188
2-bromo-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 70866161
1-N-(6-phenoxy-3-pyridinyl)-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 67006872
4-chloro-1-N-[3-(2-cyanopropan-2-yl)phenyl]-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 24812016
2,6-dichloro-3,5-dimethoxy-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 25122284
1-N-[3-(2-cyanopropan-2-yl)phenyl]-3-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,3-dicarboxamide
CID 67007572
2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 24823425
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740
2,4-bis(phenylmethoxy)-5-propan-2-yl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide
CID 135336963

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid (CID 67007623) is 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid is Cc1ccc(C(=O)Nc2cnc3[nH]ccc3c2)cc1C(=O)O.
What is the InChIKey of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid?
The InChIKey is HSXUZLNEIQZCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-9-2-3-11(7-13(9)16(21)22)15(20)19-12-6-10-4-5-17-14(10)18-8-12/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22).
What are the key properties of 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid?
2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid has a molecular weight of 295.30 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 67007623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).