2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide

C20H20N4O3 — CID 121026533

IUPAC2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCc1ccccc1)c1c[nH]c(=O)n(Cc2ccccn2)c1=O
InChIInChI=1S/C20H20N4O3/c25-18(22-12-6-9-15-7-2-1-3-8-15)17-13-23-20(27)24(19(17)26)14-16-10-4-5-11-21-16/h1-5,7-8,10-11,13H,6,9,12,14H2,(H,22,25)(H,23,27)
InChIKeyWCNWWHGQORVEGK-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.34
Rot. Bonds7

About 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide

2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 121026533) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
PubChem CID121026533
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(NCCCc1ccccc1)c1c[nH]c(=O)n(Cc2ccccn2)c1=O
InChIInChI=1S/C20H20N4O3/c25-18(22-12-6-9-15-7-2-1-3-8-15)17-13-23-20(27)24(19(17)26)14-16-10-4-5-11-21-16/h1-5,7-8,10-11,13H,6,9,12,14H2,(H,22,25)(H,23,27)
InChIKeyWCNWWHGQORVEGK-UHFFFAOYSA-N
XLogP1.34
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2,4-dioxo-N-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026531
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxamide
CID 121026519
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026385
2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026559
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
CID 121026572
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121026444
2,4-dioxo-3-(pyridin-2-ylmethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 121026593
N-(3-acetamidophenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026413
N-(2-methoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026398
methyl 2-[[2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 121026409
N-(2,4-dimethoxyphenyl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026401
N-(6-methyl-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 121026488

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide (CID 121026533) is 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide is O=C(NCCCc1ccccc1)c1c[nH]c(=O)n(Cc2ccccn2)c1=O.
What is the InChIKey of 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is WCNWWHGQORVEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-18(22-12-6-9-15-7-2-1-3-8-15)17-13-23-20(27)24(19(17)26)14-16-10-4-5-11-21-16/h1-5,7-8,10-11,13H,6,9,12,14H2,(H,22,25)(H,23,27).
What are the key properties of 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide?
2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(3-phenylpropyl)-3-(pyridin-2-ylmethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).