5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

C18H19N3O2 — CID 53134440

IUPAC5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccc(C)cc3)n2C)c1=O
InChIInChI=1S/C18H19N3O2/c1-4-21-10-9-15-14(18(21)23)11-16(20(15)3)17(22)19-13-7-5-12(2)6-8-13/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyIEMVYDNQYFFTDC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.92
Rot. Bonds3

About 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide

5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 53134440) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID53134440
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide
SMILESCCn1ccc2c(cc(C(=O)Nc3ccc(C)cc3)n2C)c1=O
InChIInChI=1S/C18H19N3O2/c1-4-21-10-9-15-14(18(21)23)11-16(20(15)3)17(22)19-13-7-5-12(2)6-8-13/h5-11H,4H2,1-3H3,(H,19,22)
InChIKeyIEMVYDNQYFFTDC-UHFFFAOYSA-N
XLogP2.92
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide (CID 53134440) is 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is CCn1ccc2c(cc(C(=O)Nc3ccc(C)cc3)n2C)c1=O.
What is the InChIKey of 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is IEMVYDNQYFFTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-4-21-10-9-15-14(18(21)23)11-16(20(15)3)17(22)19-13-7-5-12(2)6-8-13/h5-11H,4H2,1-3H3,(H,19,22).
What are the key properties of 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide?
5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-N-(4-methylphenyl)-4-oxopyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 53134440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).