3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one

C21H23N3O2 — CID 3012797

IUPAC3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H23N3O2/c1-5-17-14(2)22-21(26)19(23(3)4)18(17)20(25)15-9-8-10-16(13-15)24-11-6-7-12-24/h6-13H,5H2,1-4H3,(H,22,26)
InChIKeyKDCFBUAKHANLGQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.33
Rot. Bonds5

About 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one

3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one (PubChem CID 3012797) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one
PubChem CID3012797
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one
SMILESCCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C21H23N3O2/c1-5-17-14(2)22-21(26)19(23(3)4)18(17)20(25)15-9-8-10-16(13-15)24-11-6-7-12-24/h6-13H,5H2,1-4H3,(H,22,26)
InChIKeyKDCFBUAKHANLGQ-UHFFFAOYSA-N
XLogP3.33
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one (CID 3012797) is 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one is CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one?
The InChIKey is KDCFBUAKHANLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-5-17-14(2)22-21(26)19(23(3)4)18(17)20(25)15-9-8-10-16(13-15)24-11-6-7-12-24/h6-13H,5H2,1-4H3,(H,22,26).
What are the key properties of 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one?
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one has a molecular weight of 349.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-ethyl-6-methyl-4-(3-pyrrol-1-ylbenzoyl)-1H-pyridin-2-one is sourced from PubChem (CID 3012797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).