N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide

C19H21N3O3 — CID 155351867

IUPACN-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12
InChIInChI=1S/C19H21N3O3/c1-5-25-15-9-7-6-8-14(15)20-18(23)13-11-21(3)17-12(2)10-22(4)19(24)16(13)17/h6-11H,5H2,1-4H3,(H,20,23)
InChIKeyQASXHNAIZVSAQF-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.84
Rot. Bonds4

About N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide

N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 155351867) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID155351867
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12
InChIInChI=1S/C19H21N3O3/c1-5-25-15-9-7-6-8-14(15)20-18(23)13-11-21(3)17-12(2)10-22(4)19(24)16(13)17/h6-11H,5H2,1-4H3,(H,20,23)
InChIKeyQASXHNAIZVSAQF-UHFFFAOYSA-N
XLogP2.84
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide (CID 155351867) is N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide is CCOc1ccccc1NC(=O)c1cn(C)c2c(C)cn(C)c(=O)c12.
What is the InChIKey of N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is QASXHNAIZVSAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-5-25-15-9-7-6-8-14(15)20-18(23)13-11-21(3)17-12(2)10-22(4)19(24)16(13)17/h6-11H,5H2,1-4H3,(H,20,23).
What are the key properties of N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide?
N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-1,5,7-trimethyl-4-oxopyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 155351867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).