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

C16H18ClNO3 — CID 2891573

IUPACpropan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)CC(=O)N1
InChIInChI=1S/C16H18ClNO3/c1-9(2)21-16(20)15-10(3)18-14(19)8-12(15)11-6-4-5-7-13(11)17/h4-7,9,12H,8H2,1-3H3,(H,18,19)
InChIKeyNBIPGFOBVANMLK-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.17
Rot. Bonds3

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

propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 2891573) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID2891573
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Namepropan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)CC(=O)N1
InChIInChI=1S/C16H18ClNO3/c1-9(2)21-16(20)15-10(3)18-14(19)8-12(15)11-6-4-5-7-13(11)17/h4-7,9,12H,8H2,1-3H3,(H,18,19)
InChIKeyNBIPGFOBVANMLK-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CID 2891573) is propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is CC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)CC(=O)N1.
What is the InChIKey of propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is NBIPGFOBVANMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-9(2)21-16(20)15-10(3)18-14(19)8-12(15)11-6-4-5-7-13(11)17/h4-7,9,12H,8H2,1-3H3,(H,18,19).
What are the key properties of propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 307.78 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 2891573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).