methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate

C10H13N3O3 — CID 62006417

IUPACmethyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ccnc(C(N)=O)c1
InChIInChI=1S/C10H13N3O3/c1-13(6-9(14)16-2)7-3-4-12-8(5-7)10(11)15/h3-5H,6H2,1-2H3,(H2,11,15)
InChIKeyUVJSULZKZKZZNQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.21
Rot. Bonds4

About methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate

methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate (PubChem CID 62006417) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
PubChem CID62006417
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
SMILESCOC(=O)CN(C)c1ccnc(C(N)=O)c1
InChIInChI=1S/C10H13N3O3/c1-13(6-9(14)16-2)7-3-4-12-8(5-7)10(11)15/h3-5H,6H2,1-2H3,(H2,11,15)
InChIKeyUVJSULZKZKZZNQ-UHFFFAOYSA-N
XLogP-0.21
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62006034
methyl 4-[[(2-carbamoyl-4-pyridinyl)-methylamino]methyl]benzoate
CID 133313787
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
4-[butyl(methyl)amino]pyridine-2-carboxamide
CID 133313214
ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62005214
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
methyl 2-[(2-carbamothioyl-4-pyridinyl)-ethylamino]acetate
CID 62925404
4-[methyl(2-phenylethyl)amino]pyridine-2-carboxamide
CID 75509679
4-[methyl(pyridin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 171327108
4-[(2-aminophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 60871365
4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 133313281
4-[[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-methylamino]pyridine-2-carboxamide
CID 54992228

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate (CID 62006417) is methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate is COC(=O)CN(C)c1ccnc(C(N)=O)c1.
What is the InChIKey of methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate?
The InChIKey is UVJSULZKZKZZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-13(6-9(14)16-2)7-3-4-12-8(5-7)10(11)15/h3-5H,6H2,1-2H3,(H2,11,15).
What are the key properties of methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate?
methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate has a molecular weight of 223.23 g/mol, XLogP of -0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate is sourced from PubChem (CID 62006417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).