methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate

C14H19N3O3 — CID 141147647

IUPACmethyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cnc(N2CCCCC2)c(C)c1
InChIInChI=1S/C14H19N3O3/c1-10-8-11(16-13(18)14(19)20-2)9-15-12(10)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,16,18)
InChIKeyQUPBOBZOJLIONH-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.49
Rot. Bonds2

About methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate

methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate (PubChem CID 141147647) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
PubChem CID141147647
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)Nc1cnc(N2CCCCC2)c(C)c1
InChIInChI=1S/C14H19N3O3/c1-10-8-11(16-13(18)14(19)20-2)9-15-12(10)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,16,18)
InChIKeyQUPBOBZOJLIONH-UHFFFAOYSA-N
XLogP1.49
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
CID 75501504
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
2-[1-[5-[(2-hydrazinyl-2-oxoacetyl)amino]-3-methyl-2-pyridinyl]piperidin-4-yl]acetic acid
CID 68684464
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)-5-[4-(trifluoromethyl)anilino]-1,3,4-oxadiazole-2-carboxamide
CID 173163988
[6-(azepan-1-yl)-5-methyl-3-pyridinyl]methanol
CID 79884523
N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)thiophene-3-sulfonamide
CID 126802053
methyl 2-[[2-[(2-methoxy-2-oxoacetyl)amino]-6-piperidin-1-ylpyrimidin-4-yl]amino]-2-oxoacetate
CID 14097512
methyl 2-(3,4-dimethylanilino)-2-oxoacetate
CID 11557524
4-(difluoromethyl)-N-(5-methyl-6-piperidin-1-yl-3-pyridinyl)benzenesulfonamide
CID 126816463
1-(3,4-dimethylphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298482
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate (CID 141147647) is methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate is COC(=O)C(=O)Nc1cnc(N2CCCCC2)c(C)c1.
What is the InChIKey of methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate?
The InChIKey is QUPBOBZOJLIONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10-8-11(16-13(18)14(19)20-2)9-15-12(10)17-6-4-3-5-7-17/h8-9H,3-7H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate?
methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate has a molecular weight of 277.32 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methyl-6-piperidin-1-yl-3-pyridinyl)amino]-2-oxoacetate is sourced from PubChem (CID 141147647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).