3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid

C19H18N2O4 — CID 15110973

IUPAC3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c1c(C(=O)c1ccccc1)c(C)n2C
InChIInChI=1S/C19H18N2O4/c1-4-21-10-13(19(24)25)18(23)16-15(21)14(11(2)20(16)3)17(22)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,24,25)
InChIKeyVECWDLXOJKJFGE-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.60
Rot. Bonds4

About 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid

3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid (PubChem CID 15110973) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid
PubChem CID15110973
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid
SMILESCCn1cc(C(=O)O)c(=O)c2c1c(C(=O)c1ccccc1)c(C)n2C
InChIInChI=1S/C19H18N2O4/c1-4-21-10-13(19(24)25)18(23)16-15(21)14(11(2)20(16)3)17(22)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,24,25)
InChIKeyVECWDLXOJKJFGE-UHFFFAOYSA-N
XLogP2.60
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 142486641
3-methoxycarbonyl-1,2,4-trimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 13415414
8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 53269520
2-(benzenecarboximidoyl)-7-ethyl-4-oxothieno[2,3-b]pyridine-5-carboxylic acid
CID 57068291
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244448
(1-ethylpyrrol-2-yl)-phenylmethanone
CID 23048985
5-benzoyl-1-ethyl-6-hydroxy-4-methylpyridin-2-one
CID 53446652
3-benzoyl-1,2-dimethylbenzo[f]indole-4,9-dione
CID 10711417
5-benzoyl-6-methyl-4-oxo-1H-pyridine-3-carboxylic acid
CID 21453648
1-(5-benzoyl-1,2,4-trimethylpyrrol-3-yl)ethanone
CID 18719873
7-(benzylamino)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 66650297

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid (CID 15110973) is 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid is CCn1cc(C(=O)O)c(=O)c2c1c(C(=O)c1ccccc1)c(C)n2C.
What is the InChIKey of 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is VECWDLXOJKJFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-4-21-10-13(19(24)25)18(23)16-15(21)14(11(2)20(16)3)17(22)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3,(H,24,25).
What are the key properties of 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid?
3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 338.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-4-ethyl-1,2-dimethyl-7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 15110973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).