[1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate

C20H23N3O4 — CID 71899204

IUPAC[1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OC(C)C(=O)Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C20H23N3O4/c1-14(27-20(25)15-5-10-18(26-2)21-13-15)19(24)22-16-6-8-17(9-7-16)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyQWVIJUIGUCZVNE-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.87
Rot. Bonds6

About [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate

[1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate (PubChem CID 71899204) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate
PubChem CID71899204
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name[1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)OC(C)C(=O)Nc2ccc(N3CCCC3)cc2)cn1
InChIInChI=1S/C20H23N3O4/c1-14(27-20(25)15-5-10-18(26-2)21-13-15)19(24)22-16-6-8-17(9-7-16)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,24)
InChIKeyQWVIJUIGUCZVNE-UHFFFAOYSA-N
XLogP2.87
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017618
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-acetamidobenzoate
CID 7949863
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3,5-dimethoxybenzoate
CID 8528312
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 5-methylpyrazine-2-carboxylate
CID 7950100
[(2R)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-(difluoromethoxy)benzoate
CID 7149793
[1-(azepan-1-yl)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
CID 55443839
[(2R)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 6-methoxypyridine-3-carboxylate
CID 40753405
[(2R)-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 7261645
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 4-methyl-3-nitrobenzoate
CID 7990377
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 3-fluorobenzoate
CID 8612340
[(2S)-1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 5-methyl-1H-pyrazole-3-carboxylate
CID 97196799
[(2S)-1-oxo-1-(4-piperidin-1-ylanilino)propan-2-yl] 2-fluorobenzoate
CID 7782049

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate?
The IUPAC name of [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate (CID 71899204) is [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate?
The canonical SMILES for [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate is COc1ccc(C(=O)OC(C)C(=O)Nc2ccc(N3CCCC3)cc2)cn1.
What is the InChIKey of [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate?
The InChIKey is QWVIJUIGUCZVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-14(27-20(25)15-5-10-18(26-2)21-13-15)19(24)22-16-6-8-17(9-7-16)23-11-3-4-12-23/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,24).
What are the key properties of [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate?
[1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate has a molecular weight of 369.42 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(4-pyrrolidin-1-ylanilino)propan-2-yl] 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 71899204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).