methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate

C12H16N4O4 — CID 126839933

IUPACmethyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)Nc1cccc(C)n1
InChIInChI=1S/C12H16N4O4/c1-8-4-3-5-9(15-8)16-12(19)14-6-10(17)13-7-11(18)20-2/h3-5H,6-7H2,1-2H3,(H,13,17)(H2,14,15,16,19)
InChIKeyALKJBTBKFHOVME-UHFFFAOYSA-N
MW280.28 g/mol
LogP-0.20
Rot. Bonds5

About methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate

methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate (PubChem CID 126839933) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate
PubChem CID126839933
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)CNC(=O)Nc1cccc(C)n1
InChIInChI=1S/C12H16N4O4/c1-8-4-3-5-9(15-8)16-12(19)14-6-10(17)13-7-11(18)20-2/h3-5H,6-7H2,1-2H3,(H,13,17)(H2,14,15,16,19)
InChIKeyALKJBTBKFHOVME-UHFFFAOYSA-N
XLogP-0.20
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyethoxymethyl)-3-(6-methyl-2-pyridinyl)urea
CID 108894432
1-(6-methyl-2-pyridinyl)-3-(2,2,2-trifluoroethyl)urea
CID 934768
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
1-(6-methyl-2-pyridinyl)-3-(2-phenylethyl)urea
CID 108888073
1-(6-methyl-2-pyridinyl)-3-(2-phenoxyethyl)urea
CID 108887059
1-[3-(4-tert-butylphenoxy)propyl]-3-(6-methyl-2-pyridinyl)urea
CID 108882838
1-(6-methyl-2-pyridinyl)-3-(3-phenoxypropyl)urea
CID 108883164
2-(4-methoxyphenoxy)-N-(6-methyl-2-pyridinyl)acetamide
CID 3146339
1-[(3,4-dimethylphenoxy)methyl]-3-(6-methyl-2-pyridinyl)urea
CID 108879152
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate (CID 126839933) is methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate is COC(=O)CNC(=O)CNC(=O)Nc1cccc(C)n1.
What is the InChIKey of methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate?
The InChIKey is ALKJBTBKFHOVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-8-4-3-5-9(15-8)16-12(19)14-6-10(17)13-7-11(18)20-2/h3-5H,6-7H2,1-2H3,(H,13,17)(H2,14,15,16,19).
What are the key properties of methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate?
methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate has a molecular weight of 280.28 g/mol, XLogP of -0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[(6-methyl-2-pyridinyl)carbamoylamino]acetyl]amino]acetate is sourced from PubChem (CID 126839933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).