N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C14H13N3O4 — CID 110851794

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1
InChIInChI=1S/C14H13N3O4/c1-8-15-6-10(14(19)17-8)13(18)16-5-9-2-3-11-12(4-9)21-7-20-11/h2-4,6H,5,7H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyPIMTZRDGHMKNIF-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.74
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 110851794) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID110851794
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1
InChIInChI=1S/C14H13N3O4/c1-8-15-6-10(14(19)17-8)13(18)16-5-9-2-3-11-12(4-9)21-7-20-11/h2-4,6H,5,7H2,1H3,(H,16,18)(H,15,17,19)
InChIKeyPIMTZRDGHMKNIF-UHFFFAOYSA-N
XLogP0.74
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-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-(1,3-benzodioxol-5-ylmethyl)-4-chloro-6-methylpyridine-3-carboxamide
CID 81228237
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-N-pentan-3-yl-1H-pyrimidine-5-carboxamide
CID 50950085
N-(1,3-benzodioxol-5-ylmethyl)-6-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-pyrimidine-5-carboxamide
CID 46028433
N-(1,3-benzodioxol-5-ylmethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 5154058
2-amino-N-(1,3-benzodioxol-5-ylmethyl)-5-chloropyridine-4-carboxamide
CID 114923373
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71458576
N-(1,3-benzodioxol-5-ylmethyl)-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
CID 66495485
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691869
N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6-methylpyridine-3-carboxamide
CID 17491605
3-N,5-N-bis(1,3-benzodioxol-5-ylmethyl)pyridine-3,5-dicarboxamide
CID 69355147
2-methyl-6-oxo-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1H-pyrimidine-5-carboxamide
CID 91780687
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 24939135

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 110851794) is N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is PIMTZRDGHMKNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8-15-6-10(14(19)17-8)13(18)16-5-9-2-3-11-12(4-9)21-7-20-11/h2-4,6H,5,7H2,1H3,(H,16,18)(H,15,17,19).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110851794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).