[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium

C16H19N4O2+ — CID 7928623

IUPAC[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
SMILESCNC(=O)NC(=O)[C@H]([NH2+]Cc1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N4O2/c1-17-16(22)20-15(21)14(12-7-3-2-4-8-12)19-11-13-9-5-6-10-18-13/h2-10,14,19H,11H2,1H3,(H2,17,20,21,22)/p+1/t14-/m1/s1
InChIKeyGTQOLZPRGCTOBO-CQSZACIVSA-O
MW299.35 g/mol
LogP0.34
Rot. Bonds5

About [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium

[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium (PubChem CID 7928623) has the molecular formula C16H19N4O2+ and a molecular weight of 299.35 g/mol. Its IUPAC name is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium.

Molecular Properties

Compound Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
PubChem CID7928623
Molecular FormulaC16H19N4O2+
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC Name[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
SMILESCNC(=O)NC(=O)[C@H]([NH2+]Cc1ccccn1)c1ccccc1
InChIInChI=1S/C16H18N4O2/c1-17-16(22)20-15(21)14(12-7-3-2-4-8-12)19-11-13-9-5-6-10-18-13/h2-10,14,19H,11H2,1H3,(H2,17,20,21,22)/p+1/t14-/m1/s1
InChIKeyGTQOLZPRGCTOBO-CQSZACIVSA-O
XLogP0.34
TPSA87.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7043455
benzhydryl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8596066
[(1R)-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7148326
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 7928894
cyclohexyl-[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 7509463
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium
CID 8992353
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
2-phenyl-3-pyridin-2-yl-N-(pyridin-2-ylmethyl)propanamide
CID 110410528
N-cyclopentyl-2-phenyl-3-pyridin-2-ylpropanamide
CID 110407019
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] pyridine-4-carboxylate
CID 7478175

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The IUPAC name of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium (CID 7928623) is [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium.
What is the SMILES notation for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The canonical SMILES for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium is CNC(=O)NC(=O)[C@H]([NH2+]Cc1ccccn1)c1ccccc1.
What is the InChIKey of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
The InChIKey is GTQOLZPRGCTOBO-CQSZACIVSA-O. The full InChI is InChI=1S/C16H18N4O2/c1-17-16(22)20-15(21)14(12-7-3-2-4-8-12)19-11-13-9-5-6-10-18-13/h2-10,14,19H,11H2,1H3,(H2,17,20,21,22)/p+1/t14-/m1/s1.
What are the key properties of [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium?
[(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium has a molecular weight of 299.35 g/mol, XLogP of 0.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium is sourced from PubChem (CID 7928623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).