N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide

C19H17N3O3 — CID 70720481

IUPACN-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-22(19(24)17-11-20-13-21-18(17)23)12-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,20,21,23)
InChIKeyQGGBPZMDJQUBPF-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.83
Rot. Bonds5

About N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide

N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide (PubChem CID 70720481) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
PubChem CID70720481
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide
SMILESCN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cnc[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-22(19(24)17-11-20-13-21-18(17)23)12-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,20,21,23)
InChIKeyQGGBPZMDJQUBPF-UHFFFAOYSA-N
XLogP2.83
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide (CID 70720481) is N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide is CN(Cc1ccc(Oc2ccccc2)cc1)C(=O)c1cnc[nH]c1=O.
What is the InChIKey of N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is QGGBPZMDJQUBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22(19(24)17-11-20-13-21-18(17)23)12-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-11,13H,12H2,1H3,(H,20,21,23).
What are the key properties of N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide?
N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-[(4-phenoxyphenyl)methyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70720481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).