[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate

C18H18N2O3 — CID 18149699

IUPAC[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)cn1
InChIInChI=1S/C18H18N2O3/c1-12-7-8-14(11-19-12)18(22)23-16(13-5-3-2-4-6-13)17(21)20-15-9-10-15/h2-8,11,15-16H,9-10H2,1H3,(H,20,21)
InChIKeyUZGPBDGGMFAAOJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.57
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate

[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate (PubChem CID 18149699) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
PubChem CID18149699
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)cn1
InChIInChI=1S/C18H18N2O3/c1-12-7-8-14(11-19-12)18(22)23-16(13-5-3-2-4-6-13)17(21)20-15-9-10-15/h2-8,11,15-16H,9-10H2,1H3,(H,20,21)
InChIKeyUZGPBDGGMFAAOJ-UHFFFAOYSA-N
XLogP2.57
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-1,2-diphenylethyl) 6-methylpyridine-3-carboxylate
CID 46552586
[(1S)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 31594793
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethylbenzoate
CID 18198888
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] quinoxaline-6-carboxylate
CID 47009412
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate
CID 18151710
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(trifluoromethyl)benzoate
CID 9415143
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(acetamidomethyl)benzoate
CID 39967455
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-ethoxy-3-methoxybenzoate
CID 8600938
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 46671765
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 5-methylfuran-2-carboxylate
CID 46824904
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(ethylsulfamoyl)benzoate
CID 8641481
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 47009369

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate (CID 18149699) is [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate is Cc1ccc(C(=O)OC(C(=O)NC2CC2)c2ccccc2)cn1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate?
The InChIKey is UZGPBDGGMFAAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-12-7-8-14(11-19-12)18(22)23-16(13-5-3-2-4-6-13)17(21)20-15-9-10-15/h2-8,11,15-16H,9-10H2,1H3,(H,20,21).
What are the key properties of [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate?
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 6-methylpyridine-3-carboxylate is sourced from PubChem (CID 18149699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).