ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate

C14H19ClN2O4 — CID 81228292

IUPACethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-4-21-13(18)9-17(5-6-20-3)14(19)11-8-16-10(2)7-12(11)15/h7-8H,4-6,9H2,1-3H3
InChIKeyWOUMWYDROYFXJR-UHFFFAOYSA-N
MW314.77 g/mol
LogP1.70
Rot. Bonds7

About ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate (PubChem CID 81228292) has the molecular formula C14H19ClN2O4 and a molecular weight of 314.77 g/mol. Its IUPAC name is ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
PubChem CID81228292
Molecular FormulaC14H19ClN2O4
Molecular Weight314.77 g/mol
Exact Mass314.10
IUPAC Nameethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1cnc(C)cc1Cl
InChIInChI=1S/C14H19ClN2O4/c1-4-21-13(18)9-17(5-6-20-3)14(19)11-8-16-10(2)7-12(11)15/h7-8H,4-6,9H2,1-3H3
InChIKeyWOUMWYDROYFXJR-UHFFFAOYSA-N
XLogP1.70
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(2-cyanoethyl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81227229
4-chloro-N-(2-methoxyethyl)-N,6-dimethylpyridine-3-carboxamide
CID 81226512
ethyl 2-[(2-chloro-5-hydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 106501591
N,N-dibutyl-4-chloro-6-methylpyridine-3-carboxamide
CID 81224997
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-(2-methoxyethyl)amino]acetate
CID 103863690
ethyl 2-[(2-aminobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60958970
ethyl 2-[2-methoxyethyl-[2-(2,4,5-trichlorophenoxy)acetyl]amino]acetate
CID 55725983
ethyl 2-[(3,5-dihydroxybenzoyl)-(2-methoxyethyl)amino]acetate
CID 103892104
4-(ethylamino)-N,N-bis(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 81237785
4-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-6-methylpyridine-3-carboxamide
CID 81239796
4-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 102978950
ethyl 2-[(2,3-difluorobenzoyl)-(2-methoxyethyl)amino]acetate
CID 60620709

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate (CID 81228292) is ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1cnc(C)cc1Cl.
What is the InChIKey of ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is WOUMWYDROYFXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O4/c1-4-21-13(18)9-17(5-6-20-3)14(19)11-8-16-10(2)7-12(11)15/h7-8H,4-6,9H2,1-3H3.
What are the key properties of ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 314.77 g/mol, XLogP of 1.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chloro-6-methylpyridine-3-carbonyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 81228292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).