ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate

C19H22N2O4 — CID 167976323

IUPACethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(C(=O)NC(C)(CO)c2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-4-25-18(24)14-10-16(13(2)20-11-14)17(23)21-19(3,12-22)15-8-6-5-7-9-15/h5-11,22H,4,12H2,1-3H3,(H,21,23)
InChIKeyUJKSEOMMGAQGCR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.20
Rot. Bonds6

About ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate

ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate (PubChem CID 167976323) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate
PubChem CID167976323
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nameethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1cnc(C)c(C(=O)NC(C)(CO)c2ccccc2)c1
InChIInChI=1S/C19H22N2O4/c1-4-25-18(24)14-10-16(13(2)20-11-14)17(23)21-19(3,12-22)15-8-6-5-7-9-15/h5-11,22H,4,12H2,1-3H3,(H,21,23)
InChIKeyUJKSEOMMGAQGCR-UHFFFAOYSA-N
XLogP2.20
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-2-phenylpropan-2-yl)-3,6-dimethylpyridazine-4-carboxamide
CID 105058784
ethyl N-(1-hydroxy-2-phenylpropan-2-yl)carbamate
CID 105059191
5-amino-N-(1-hydroxy-2-phenylpropan-2-yl)-2-methylbenzamide
CID 105057681
ethyl 5-[[(2R)-2-methoxy-3,3-dimethylbutyl]carbamoyl]-6-methylpyridine-3-carboxylate
CID 97252699
3,6-dichloro-N-(1-hydroxy-2-phenylpropan-2-yl)pyridazine-4-carboxamide
CID 105058953
3,5-diamino-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057637
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
3-amino-5-bromo-N-(1-hydroxy-2-phenylpropan-2-yl)benzamide
CID 105057674
N-(1-hydroxy-2-phenylpropan-2-yl)pyridine-2-carboxamide
CID 105059023
(1-hydroxy-2-phenylpropan-2-yl)urea
CID 105059189
N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
CID 105059848
3-fluoro-N-(1-hydroxy-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105058932

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate (CID 167976323) is ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate is CCOC(=O)c1cnc(C)c(C(=O)NC(C)(CO)c2ccccc2)c1.
What is the InChIKey of ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate?
The InChIKey is UJKSEOMMGAQGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-25-18(24)14-10-16(13(2)20-11-14)17(23)21-19(3,12-22)15-8-6-5-7-9-15/h5-11,22H,4,12H2,1-3H3,(H,21,23).
What are the key properties of ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate?
ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-hydroxy-2-phenylpropan-2-yl)carbamoyl]-6-methylpyridine-3-carboxylate is sourced from PubChem (CID 167976323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).