methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate

C13H17ClN2O4 — CID 79078825

IUPACmethyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccncc1Cl
InChIInChI=1S/C13H17ClN2O4/c1-19-8-7-16(6-4-12(17)20-2)13(18)10-3-5-15-9-11(10)14/h3,5,9H,4,6-8H2,1-2H3
InChIKeyGVLHVOSARLOALY-UHFFFAOYSA-N
MW300.74 g/mol
LogP1.39
Rot. Bonds7

About methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate

methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate (PubChem CID 79078825) has the molecular formula C13H17ClN2O4 and a molecular weight of 300.74 g/mol. Its IUPAC name is methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
PubChem CID79078825
Molecular FormulaC13H17ClN2O4
Molecular Weight300.74 g/mol
Exact Mass300.09
IUPAC Namemethyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)C(=O)c1ccncc1Cl
InChIInChI=1S/C13H17ClN2O4/c1-19-8-7-16(6-4-12(17)20-2)13(18)10-3-5-15-9-11(10)14/h3,5,9H,4,6-8H2,1-2H3
InChIKeyGVLHVOSARLOALY-UHFFFAOYSA-N
XLogP1.39
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[(3-chloropyridine-4-carbonyl)-methylamino]butanoate
CID 66484508
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
methyl 3-[(3-chloro-2-fluorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 80999485
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
methyl 3-[(4-chloropyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 81229624
methyl 3-[(2-bromo-4-chlorobenzoyl)-(2-methoxyethyl)amino]propanoate
CID 103765245
methyl 3-[(6-chloropyridine-2-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78958864
methyl 3-[(2,6-dichloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate
CID 78959056
N-(3-amino-3-sulfanylidenepropyl)-3-methoxy-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 105063523
methyl 3-[2-methoxyethyl(1H-pyrazole-5-carbonyl)amino]propanoate
CID 78959070
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
3-chloro-N-ethyl-N-propylpyridine-4-carboxamide
CID 66463826

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate (CID 79078825) is methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)C(=O)c1ccncc1Cl.
What is the InChIKey of methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate?
The InChIKey is GVLHVOSARLOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O4/c1-19-8-7-16(6-4-12(17)20-2)13(18)10-3-5-15-9-11(10)14/h3,5,9H,4,6-8H2,1-2H3.
What are the key properties of methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate?
methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate has a molecular weight of 300.74 g/mol, XLogP of 1.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chloropyridine-4-carbonyl)-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 79078825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).