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

C12H17N3O3 — CID 62006034

IUPACmethyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
SMILESCCNC(=O)c1cc(N(C)CC(=O)OC)ccn1
InChIInChI=1S/C12H17N3O3/c1-4-13-12(17)10-7-9(5-6-14-10)15(2)8-11(16)18-3/h5-7H,4,8H2,1-3H3,(H,13,17)
InChIKeyFJMHWNUJNCONRL-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.44
Rot. Bonds5

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

methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate (PubChem CID 62006034) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
PubChem CID62006034
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
SMILESCCNC(=O)c1cc(N(C)CC(=O)OC)ccn1
InChIInChI=1S/C12H17N3O3/c1-4-13-12(17)10-7-9(5-6-14-10)15(2)8-11(16)18-3/h5-7H,4,8H2,1-3H3,(H,13,17)
InChIKeyFJMHWNUJNCONRL-UHFFFAOYSA-N
XLogP0.44
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-carbamoyl-4-pyridinyl)-methylamino]acetate
CID 62006417
N-ethyl-4-[5-hydroxypentyl(methyl)amino]pyridine-2-carboxamide
CID 107203439
4-[(4-aminophenyl)methyl-methylamino]-N-ethylpyridine-2-carboxamide
CID 60877624
methyl 4-[methyl-[2-(methylcarbamoyl)-4-pyridinyl]amino]butanoate
CID 62005376
ethyl 2-[[2-(dimethylcarbamoyl)-4-pyridinyl]-methylamino]acetate
CID 62005214
ethyl 2-[cyclopropyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]acetate
CID 62005920
2-[(2-methoxycarbonyl-4-pyridinyl)-methylamino]acetic acid
CID 66290685
2-[ethyl-[2-(ethylcarbamoyl)-4-pyridinyl]amino]-2-methylpropanoic acid
CID 62818215
methyl 3-[[2-(diethylcarbamoyl)-4-pyridinyl]-methylamino]propanoate
CID 62005961
4-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109217497
4-[benzyl(methyl)amino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205672
4-[3-aminopropyl(propan-2-yl)amino]-N-ethylpyridine-2-carboxamide
CID 43517813

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate (CID 62006034) is methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate is CCNC(=O)c1cc(N(C)CC(=O)OC)ccn1.
What is the InChIKey of methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate?
The InChIKey is FJMHWNUJNCONRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-13-12(17)10-7-9(5-6-14-10)15(2)8-11(16)18-3/h5-7H,4,8H2,1-3H3,(H,13,17).
What are the key properties of methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate?
methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate has a molecular weight of 251.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(ethylcarbamoyl)-4-pyridinyl]-methylamino]acetate is sourced from PubChem (CID 62006034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).