5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid

C19H22N6O5 — CID 167803748

IUPAC5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid
SMILESCN1C(=O)CC[C@H]1C(=O)N1CCOC(Cn2cc(-c3ccc(C(=O)O)nc3)nn2)C1
InChIInChI=1S/C19H22N6O5/c1-23-16(4-5-17(23)26)18(27)24-6-7-30-13(9-24)10-25-11-15(21-22-25)12-2-3-14(19(28)29)20-8-12/h2-3,8,11,13,16H,4-7,9-10H2,1H3,(H,28,29)/t13?,16-/m0/s1
InChIKeyBWDMRUKNJQHPOL-VYIIXAMBSA-N
MW414.42 g/mol
LogP-0.11
Rot. Bonds5

About 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid

5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid (PubChem CID 167803748) has the molecular formula C19H22N6O5 and a molecular weight of 414.42 g/mol. Its IUPAC name is 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid
PubChem CID167803748
Molecular FormulaC19H22N6O5
Molecular Weight414.42 g/mol
Exact Mass414.17
IUPAC Name5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid
SMILESCN1C(=O)CC[C@H]1C(=O)N1CCOC(Cn2cc(-c3ccc(C(=O)O)nc3)nn2)C1
InChIInChI=1S/C19H22N6O5/c1-23-16(4-5-17(23)26)18(27)24-6-7-30-13(9-24)10-25-11-15(21-22-25)12-2-3-14(19(28)29)20-8-12/h2-3,8,11,13,16H,4-7,9-10H2,1H3,(H,28,29)/t13?,16-/m0/s1
InChIKeyBWDMRUKNJQHPOL-VYIIXAMBSA-N
XLogP-0.11
TPSA130.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid (CID 167803748) is 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid is CN1C(=O)CC[C@H]1C(=O)N1CCOC(Cn2cc(-c3ccc(C(=O)O)nc3)nn2)C1.
What is the InChIKey of 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid?
The InChIKey is BWDMRUKNJQHPOL-VYIIXAMBSA-N. The full InChI is InChI=1S/C19H22N6O5/c1-23-16(4-5-17(23)26)18(27)24-6-7-30-13(9-24)10-25-11-15(21-22-25)12-2-3-14(19(28)29)20-8-12/h2-3,8,11,13,16H,4-7,9-10H2,1H3,(H,28,29)/t13?,16-/m0/s1.
What are the key properties of 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid?
5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid has a molecular weight of 414.42 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[4-[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]morpholin-2-yl]methyl]triazol-4-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 167803748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).