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

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Related Compounds

N-benzyl-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851137
N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
N-[2-(3-ethoxyphenyl)-2-hydroxyethyl]-N-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110128838
(2R)-2-hydroxy-N-methyl-N-[(4-phenoxyphenyl)methyl]propanamide
CID 70764862
N-[(4-methoxyphenyl)methyl]-N-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237935
N-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-5-carboxamide
CID 123395094
(4S)-N,1-dimethyl-2-oxo-N-[(4-phenoxyphenyl)methyl]imidazolidine-4-carboxamide
CID 95862292
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-N-methyl-5-phenoxyfuran-2-carboxamide
CID 166223936
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-[[4-(1H-imidazol-5-ylmethyl)phenyl]methyl]-N-methyl-2-phenylacetamide
CID 23368261
N-methyl-N-[(4-phenoxyphenyl)methyl]-1-phenylmethanamine
CID 54074832
N-benzyl-N-methyl-4-(4-methylphenoxy)-2-phenylpyrimidine-5-carboxamide
CID 42670112

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).