N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

C15H22N4O3 — CID 138011910

IUPACN-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCCN(C(=O)NCc2cn(C(C)C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C15H22N4O3/c1-10(2)19-9-12(13(20)17-15(19)22)7-16-14(21)18-6-4-5-11(3)8-18/h5,9-10H,4,6-8H2,1-3H3,(H,16,21)(H,17,20,22)
InChIKeyUMBXUFZIIWPVDZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.98
Rot. Bonds3

About N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide

N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 138011910) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID138011910
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1=CCCN(C(=O)NCc2cn(C(C)C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C15H22N4O3/c1-10(2)19-9-12(13(20)17-15(19)22)7-16-14(21)18-6-4-5-11(3)8-18/h5,9-10H,4,6-8H2,1-3H3,(H,16,21)(H,17,20,22)
InChIKeyUMBXUFZIIWPVDZ-UHFFFAOYSA-N
XLogP0.98
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide (CID 138011910) is N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is CC1=CCCN(C(=O)NCc2cn(C(C)C)c(=O)[nH]c2=O)C1.
What is the InChIKey of N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is UMBXUFZIIWPVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)19-9-12(13(20)17-15(19)22)7-16-14(21)18-6-4-5-11(3)8-18/h5,9-10H,4,6-8H2,1-3H3,(H,16,21)(H,17,20,22).
What are the key properties of N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide?
N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)methyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 138011910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).