methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate

C22H21N3O5 — CID 70853198

IUPACmethyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate
SMILESCOCCOC(=O)Nc1cc(C(=O)OC)cc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C22H21N3O5/c1-28-10-11-30-22(27)25-20-13-18(21(26)29-2)12-19(24-20)16-7-5-15(6-8-16)17-4-3-9-23-14-17/h3-9,12-14H,10-11H2,1-2H3,(H,24,25,27)
InChIKeyNXGIKBXVZKSBTC-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.79
Rot. Bonds7

About methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate

methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate (PubChem CID 70853198) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate
PubChem CID70853198
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC Namemethyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate
SMILESCOCCOC(=O)Nc1cc(C(=O)OC)cc(-c2ccc(-c3cccnc3)cc2)n1
InChIInChI=1S/C22H21N3O5/c1-28-10-11-30-22(27)25-20-13-18(21(26)29-2)12-19(24-20)16-7-5-15(6-8-16)17-4-3-9-23-14-17/h3-9,12-14H,10-11H2,1-2H3,(H,24,25,27)
InChIKeyNXGIKBXVZKSBTC-UHFFFAOYSA-N
XLogP3.79
TPSA99.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-(2-methoxyethylcarbamoylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxamide
CID 89034356
methyl 2-[(4-hydroxybenzoyl)amino]-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxylate
CID 68755887
methyl 2-(ethylcarbamoylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxylate
CID 68756538
methyl 2-(methanesulfonamido)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxylate
CID 68759808
methyl 2-[4-(2-pyridin-3-ylethynyl)phenyl]-6-(pyridin-3-ylsulfonylamino)pyridine-4-carboxylate
CID 68756203
methyl 3-(4-pyridin-3-ylanilino)benzoate
CID 164589559
ethyl 6-(4-methoxycarbonylphenyl)-3-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 155684827
N-(4-ethyl-2-pyridinyl)-4-pyridin-3-ylbenzamide
CID 59781573
(111C)methyl pyridine-3-carboxylate
CID 11309537
methyl 4-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzoate;hydrobromide
CID 18613847
methyl 2-fluoro-4-pyridin-3-ylbenzoate
CID 46317431
methyl 4-methoxy-3-pyridin-3-ylbenzoate
CID 46317451

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate (CID 70853198) is methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate is COCCOC(=O)Nc1cc(C(=O)OC)cc(-c2ccc(-c3cccnc3)cc2)n1.
What is the InChIKey of methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate?
The InChIKey is NXGIKBXVZKSBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-28-10-11-30-22(27)25-20-13-18(21(26)29-2)12-19(24-20)16-7-5-15(6-8-16)17-4-3-9-23-14-17/h3-9,12-14H,10-11H2,1-2H3,(H,24,25,27).
What are the key properties of methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate?
methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate has a molecular weight of 407.43 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyethoxycarbonylamino)-6-(4-pyridin-3-ylphenyl)pyridine-4-carboxylate is sourced from PubChem (CID 70853198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).