N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide

C18H19N3O3 — CID 90210625

IUPACN-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide
SMILESCC(C)CC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C18H19N3O3/c1-12(2)9-14-10-16(22)21(18(24)15(14)11-19)20(3)17(23)13-7-5-4-6-8-13/h4-8,12H,9-10H2,1-3H3
InChIKeyTZNZNJZQKAXSEE-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.30
Rot. Bonds4

About N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide

N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide (PubChem CID 90210625) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide
PubChem CID90210625
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide
SMILESCC(C)CC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1
InChIInChI=1S/C18H19N3O3/c1-12(2)9-14-10-16(22)21(18(24)15(14)11-19)20(3)17(23)13-7-5-4-6-8-13/h4-8,12H,9-10H2,1-3H3
InChIKeyTZNZNJZQKAXSEE-UHFFFAOYSA-N
XLogP2.30
TPSA81.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide?
The IUPAC name of N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide (CID 90210625) is N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide.
What is the SMILES notation for N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide?
The canonical SMILES for N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide is CC(C)CC1=C(C#N)C(=O)N(N(C)C(=O)c2ccccc2)C(=O)C1.
What is the InChIKey of N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide?
The InChIKey is TZNZNJZQKAXSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(2)9-14-10-16(22)21(18(24)15(14)11-19)20(3)17(23)13-7-5-4-6-8-13/h4-8,12H,9-10H2,1-3H3.
What are the key properties of N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide?
N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide has a molecular weight of 325.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyano-4-(2-methylpropyl)-2,6-dioxo-3H-pyridin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 90210625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).