N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

C14H23N3O3 — CID 155547589

IUPACN-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCCCCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-8-9-15-13(19)11-10-12(18)17-14(20)16-11/h10H,2-9H2,1H3,(H,15,19)(H2,16,17,18,20)
InChIKeyXUBKYUVTJDNCHI-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.54
Rot. Bonds9

About N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 155547589) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID155547589
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC NameN-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCCCCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-8-9-15-13(19)11-10-12(18)17-14(20)16-11/h10H,2-9H2,1H3,(H,15,19)(H2,16,17,18,20)
InChIKeyXUBKYUVTJDNCHI-UHFFFAOYSA-N
XLogP1.54
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 155547589) is N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCCCCCCCCNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is XUBKYUVTJDNCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-2-3-4-5-6-7-8-9-15-13(19)11-10-12(18)17-14(20)16-11/h10H,2-9H2,1H3,(H,15,19)(H2,16,17,18,20).
What are the key properties of N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.54, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 155547589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).