3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide

C23H25N3O4 — CID 122262265

IUPAC3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cc(-c3ccc(OC)cc3)ncn2)cc1OCC
InChIInChI=1S/C23H25N3O4/c1-4-29-21-11-8-17(12-22(21)30-5-2)23(27)24-14-18-13-20(26-15-25-18)16-6-9-19(28-3)10-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,24,27)
InChIKeyYYPGBCDNEHMIDG-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.88
Rot. Bonds9

About 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide

3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide (PubChem CID 122262265) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
PubChem CID122262265
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Name3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
SMILESCCOc1ccc(C(=O)NCc2cc(-c3ccc(OC)cc3)ncn2)cc1OCC
InChIInChI=1S/C23H25N3O4/c1-4-29-21-11-8-17(12-22(21)30-5-2)23(27)24-14-18-13-20(26-15-25-18)16-6-9-19(28-3)10-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,24,27)
InChIKeyYYPGBCDNEHMIDG-UHFFFAOYSA-N
XLogP3.88
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-dimethylbenzamide
CID 122262330
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122262550
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]propanamide
CID 122262240
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 122262407
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-methyl-4-nitrobenzamide
CID 122262490
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-4-methyl-3-nitrobenzamide
CID 122262254
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122262463
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]-3-nitrobenzamide
CID 122262274
2,5-dichloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262271
2-acetamido-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262517
2-(4-fluorophenyl)-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]acetamide
CID 122262243

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide (CID 122262265) is 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide is CCOc1ccc(C(=O)NCc2cc(-c3ccc(OC)cc3)ncn2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
The InChIKey is YYPGBCDNEHMIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-29-21-11-8-17(12-22(21)30-5-2)23(27)24-14-18-13-20(26-15-25-18)16-6-9-19(28-3)10-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,24,27).
What are the key properties of 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide?
3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide has a molecular weight of 407.47 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide is sourced from PubChem (CID 122262265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).