4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide

C17H16N2O4 — CID 3075421

IUPAC4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide
SMILESCOc1ccc(C(=O)CC(=O)C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C17H16N2O4/c1-11-4-3-5-16(18-11)19-17(22)15(21)10-14(20)12-6-8-13(23-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,19,22)
InChIKeyPJDFWTPHEIOQJM-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.18
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide

4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide (PubChem CID 3075421) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide
PubChem CID3075421
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide
SMILESCOc1ccc(C(=O)CC(=O)C(=O)Nc2cccc(C)n2)cc1
InChIInChI=1S/C17H16N2O4/c1-11-4-3-5-16(18-11)19-17(22)15(21)10-14(20)12-6-8-13(23-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,19,22)
InChIKeyPJDFWTPHEIOQJM-UHFFFAOYSA-N
XLogP2.18
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide
CID 6424832
2-(4-methoxyphenoxy)-N-(6-methyl-2-pyridinyl)acetamide
CID 3146339
N-(2-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997668
1-(2,4-dimethoxyphenyl)-3-(6-methyl-2-pyridinyl)urea
CID 769338
methyl 2-[[4-(4-methoxyphenyl)-2,4-dioxobutanoyl]amino]benzoate
CID 177254221
N-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-2,4-dioxobutanamide
CID 126458118
(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]prop-2-en-1-one
CID 162787515
N-[(E)-1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)amino]-3-oxoprop-1-en-2-yl]-2,2-dimethylpropanamide
CID 18859858
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
3-(4-methoxyphenyl)-N-methyl-3-oxopropanamide
CID 16751964
N-(4-carbamoylphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 108525732

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide (CID 3075421) is 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide is COc1ccc(C(=O)CC(=O)C(=O)Nc2cccc(C)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide?
The InChIKey is PJDFWTPHEIOQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11-4-3-5-16(18-11)19-17(22)15(21)10-14(20)12-6-8-13(23-2)9-7-12/h3-9H,10H2,1-2H3,(H,18,19,22).
What are the key properties of 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide?
4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide has a molecular weight of 312.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-2,4-dioxobutanamide is sourced from PubChem (CID 3075421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).