methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate

C18H20N4O3 — CID 124616584

IUPACmethyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@@H](N[C@H]1CCCN(c2cccnc2)C1=O)c1cccnc1
InChIInChI=1S/C18H20N4O3/c1-25-18(24)16(13-5-2-8-19-11-13)21-15-7-4-10-22(17(15)23)14-6-3-9-20-12-14/h2-3,5-6,8-9,11-12,15-16,21H,4,7,10H2,1H3/t15-,16-/m0/s1
InChIKeyVKYOUVMYKMNPTL-HOTGVXAUSA-N
MW340.38 g/mol
LogP1.48
Rot. Bonds5

About methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate

methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate (PubChem CID 124616584) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namemethyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
PubChem CID124616584
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Namemethyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate
SMILESCOC(=O)[C@@H](N[C@H]1CCCN(c2cccnc2)C1=O)c1cccnc1
InChIInChI=1S/C18H20N4O3/c1-25-18(24)16(13-5-2-8-19-11-13)21-15-7-4-10-22(17(15)23)14-6-3-9-20-12-14/h2-3,5-6,8-9,11-12,15-16,21H,4,7,10H2,1H3/t15-,16-/m0/s1
InChIKeyVKYOUVMYKMNPTL-HOTGVXAUSA-N
XLogP1.48
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate with MolForge

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Related Compounds

methyl 2-(cyclopropylamino)-2-pyridin-3-ylacetate
CID 60795276
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
1-methyl-1-[(1R)-1-(1-methylcyclopropyl)ethyl]-3-[(3R)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]urea
CID 97351700
N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)furan-2-carboxamide
CID 75503381
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
(3S)-3-[(5-bromopyrimidin-4-yl)amino]-1-pyridin-3-ylpiperidin-2-one
CID 124886074
methyl 2-(oxolan-2-ylmethylamino)-2-pyridin-3-ylacetate
CID 54890054
tert-butyl (2R)-2-[(2-methoxy-2-oxo-1-pyridin-3-ylethyl)carbamoyl]azetidine-1-carboxylate
CID 126811309
6-(methylamino)-4-pyridin-3-yl-1,4-oxazepan-5-one
CID 20590175
(3R)-1-pyridin-3-yl-3-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]amino]piperidin-2-one
CID 129429821
methyl (2R)-1-pyridin-3-ylpyrrolidine-2-carboxylate
CID 96706511
1-cyclopropyl-2-oxo-N-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3H-benzimidazole-5-carboxamide
CID 126820989

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate?
The IUPAC name of methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate (CID 124616584) is methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate.
What is the SMILES notation for methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate?
The canonical SMILES for methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate is COC(=O)[C@@H](N[C@H]1CCCN(c2cccnc2)C1=O)c1cccnc1.
What is the InChIKey of methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate?
The InChIKey is VKYOUVMYKMNPTL-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-25-18(24)16(13-5-2-8-19-11-13)21-15-7-4-10-22(17(15)23)14-6-3-9-20-12-14/h2-3,5-6,8-9,11-12,15-16,21H,4,7,10H2,1H3/t15-,16-/m0/s1.
What are the key properties of methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate?
methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate has a molecular weight of 340.38 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[(3S)-2-oxo-1-pyridin-3-ylpiperidin-3-yl]amino]-2-pyridin-3-ylacetate is sourced from PubChem (CID 124616584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).