6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one

C22H22N4O2 — CID 129272532

IUPAC6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one
SMILESCC(=O)N1CC(=O)c2c(Nc3ccccc3)c(-c3ccnc(C)c3)n(C)c2C1
InChIInChI=1S/C22H22N4O2/c1-14-11-16(9-10-23-14)22-21(24-17-7-5-4-6-8-17)20-18(25(22)3)12-26(15(2)27)13-19(20)28/h4-11,24H,12-13H2,1-3H3
InChIKeyMIQKZUIYKFYWRW-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.68
Rot. Bonds3

About 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one

6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one (PubChem CID 129272532) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one
PubChem CID129272532
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one
SMILESCC(=O)N1CC(=O)c2c(Nc3ccccc3)c(-c3ccnc(C)c3)n(C)c2C1
InChIInChI=1S/C22H22N4O2/c1-14-11-16(9-10-23-14)22-21(24-17-7-5-4-6-8-17)20-18(25(22)3)12-26(15(2)27)13-19(20)28/h4-11,24H,12-13H2,1-3H3
InChIKeyMIQKZUIYKFYWRW-UHFFFAOYSA-N
XLogP3.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one?
The IUPAC name of 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one (CID 129272532) is 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one.
What is the SMILES notation for 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one?
The canonical SMILES for 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one is CC(=O)N1CC(=O)c2c(Nc3ccccc3)c(-c3ccnc(C)c3)n(C)c2C1.
What is the InChIKey of 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one?
The InChIKey is MIQKZUIYKFYWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-11-16(9-10-23-14)22-21(24-17-7-5-4-6-8-17)20-18(25(22)3)12-26(15(2)27)13-19(20)28/h4-11,24H,12-13H2,1-3H3.
What are the key properties of 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one?
6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one has a molecular weight of 374.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-3-anilino-1-methyl-2-(2-methyl-4-pyridinyl)-5,7-dihydropyrrolo[2,3-c]pyridin-4-one is sourced from PubChem (CID 129272532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).