benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate

C23H25NO4 — CID 2891824

IUPACbenzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2ccccc2OC(C)C)CC(=O)N1
InChIInChI=1S/C23H25NO4/c1-15(2)28-20-12-8-7-11-18(20)19-13-21(25)24-16(3)22(19)23(26)27-14-17-9-5-4-6-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,24,25)
InChIKeyAFWZYUVXWFBKMD-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.09
Rot. Bonds6

About benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate

benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 2891824) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID2891824
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Namebenzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2ccccc2OC(C)C)CC(=O)N1
InChIInChI=1S/C23H25NO4/c1-15(2)28-20-12-8-7-11-18(20)19-13-21(25)24-16(3)22(19)23(26)27-14-17-9-5-4-6-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,24,25)
InChIKeyAFWZYUVXWFBKMD-UHFFFAOYSA-N
XLogP4.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate (CID 2891824) is benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2OC(C)C)CC(=O)N1.
What is the InChIKey of benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is AFWZYUVXWFBKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-15(2)28-20-12-8-7-11-18(20)19-13-21(25)24-16(3)22(19)23(26)27-14-17-9-5-4-6-10-17/h4-12,15,19H,13-14H2,1-3H3,(H,24,25).
What are the key properties of benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate?
benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 379.46 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-methyl-2-oxo-4-(2-propan-2-yloxyphenyl)-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 2891824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).