N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

C20H20N4O3 — CID 56741787

IUPACN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)c(=O)[nH]1
InChIInChI=1S/C20H20N4O3/c1-12-6-4-7-13(2)17(12)27-20-15(8-5-9-21-20)10-23-18(25)16-11-22-14(3)24-19(16)26/h4-9,11H,10H2,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyFLJNGPYQFGQQSF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.81
Rot. Bonds5

About N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 56741787) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID56741787
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)c(=O)[nH]1
InChIInChI=1S/C20H20N4O3/c1-12-6-4-7-13(2)17(12)27-20-15(8-5-9-21-20)10-23-18(25)16-11-22-14(3)24-19(16)26/h4-9,11H,10H2,1-3H3,(H,23,25)(H,22,24,26)
InChIKeyFLJNGPYQFGQQSF-UHFFFAOYSA-N
XLogP2.81
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-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-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1,6-dimethyl-2-oxopyridine-3-carboxamide
CID 56751942
N-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 56747207
2-methyl-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 72936219
6-methyl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 25288779
4-chloro-N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
CID 56760516
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-3-pyridin-3-ylpropanamide
CID 25288420
5-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1H-imidazole-2-carboxamide
CID 56746207
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-(furan-2-yl)-2-oxoacetamide
CID 56757543
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylpropanamide
CID 45171969
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
2-(2,6-dimethylphenoxy)-N-[(2-methoxy-3-pyridinyl)methyl]acetamide
CID 37486076
2-methoxy-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 42521293

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 56741787) is N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)c(=O)[nH]1.
What is the InChIKey of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is FLJNGPYQFGQQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-6-4-7-13(2)17(12)27-20-15(8-5-9-21-20)10-23-18(25)16-11-22-14(3)24-19(16)26/h4-9,11H,10H2,1-3H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,6-dimethylphenoxy)-3-pyridinyl]methyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56741787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).