N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide

C22H23N3O3 — CID 53080400

IUPACN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C22H23N3O3/c1-4-28-19-11-10-16(12-20(19)27-3)13-24-22(26)18-14-23-21(25-15(18)2)17-8-6-5-7-9-17/h5-12,14H,4,13H2,1-3H3,(H,24,26)
InChIKeyURUSHWFLQAAHOX-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.79
Rot. Bonds7

About N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide (PubChem CID 53080400) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
PubChem CID53080400
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide
SMILESCCOc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2C)cc1OC
InChIInChI=1S/C22H23N3O3/c1-4-28-19-11-10-16(12-20(19)27-3)13-24-22(26)18-14-23-21(25-15(18)2)17-8-6-5-7-9-17/h5-12,14H,4,13H2,1-3H3,(H,24,26)
InChIKeyURUSHWFLQAAHOX-UHFFFAOYSA-N
XLogP3.79
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 110852258
N-[(3,4-dimethoxyphenyl)methyl]-2-ethoxybenzamide
CID 17070136
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55762586
(2-phenylpyrimidin-5-yl) N-[(3,4-dimethoxyphenyl)methyl]carbamate
CID 90300892
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
N-[(4-methoxyphenyl)methyl]-4-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 53080240
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-fluoro-4-methoxybenzamide
CID 86981597
2-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9147635
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxy-N-[(4-ethoxy-3-methoxyphenyl)methyl]benzamide
CID 55659737
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-(3-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805827

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide (CID 53080400) is N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide is CCOc1ccc(CNC(=O)c2cnc(-c3ccccc3)nc2C)cc1OC.
What is the InChIKey of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide?
The InChIKey is URUSHWFLQAAHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-28-19-11-10-16(12-20(19)27-3)13-24-22(26)18-14-23-21(25-15(18)2)17-8-6-5-7-9-17/h5-12,14H,4,13H2,1-3H3,(H,24,26).
What are the key properties of N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide?
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-methyl-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 53080400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).