2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid

C19H17N3O5 — CID 134526591

IUPAC2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cc#cc(C(=O)N3CCCC3)c2)cc1O
InChIInChI=1S/C19H17N3O5/c23-15-9-14(10-20-17(15)18(26)21-11-16(24)25)12-4-3-5-13(8-12)19(27)22-6-1-2-7-22/h4,8-10,23H,1-2,6-7,11H2,(H,21,26)(H,24,25)
InChIKeyRAPBNMFBOQPOHC-UHFFFAOYSA-N
MW367.36 g/mol
LogP1.10
Rot. Bonds5

About 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid

2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid (PubChem CID 134526591) has the molecular formula C19H17N3O5 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid
PubChem CID134526591
Molecular FormulaC19H17N3O5
Molecular Weight367.36 g/mol
Exact Mass367.12
IUPAC Name2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ncc(-c2cc#cc(C(=O)N3CCCC3)c2)cc1O
InChIInChI=1S/C19H17N3O5/c23-15-9-14(10-20-17(15)18(26)21-11-16(24)25)12-4-3-5-13(8-12)19(27)22-6-1-2-7-22/h4,8-10,23H,1-2,6-7,11H2,(H,21,26)(H,24,25)
InChIKeyRAPBNMFBOQPOHC-UHFFFAOYSA-N
XLogP1.10
TPSA119.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid with MolForge

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Related Compounds

2-[(3-hydroxy-5-pyrimidin-5-ylpyridine-2-carbonyl)amino]acetic acid
CID 24891739
2-[[3-hydroxy-5-(4-isocyanophenyl)pyridine-2-carbonyl]amino]acetic acid
CID 59513097
CID 145160330
CID 145160330
2-[[3-hydroxy-5-(4-propan-2-ylphenyl)pyridine-2-carbonyl]amino]acetic acid
CID 24891735
2-[(3-hydroxy-5-naphthalen-2-ylpyridine-2-carbonyl)amino]acetic acid
CID 71477196
CID 145160322
CID 145160322
5-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxyprop-2-enyl)pyridine-2-carboxamide
CID 89301360
2-[[5-(3-fluorophenyl)-3-hydroxypyridine-2-carbonyl]amino]acetyl iodide
CID 118266893
2-[(3-hydroxy-5-phenoxypyridine-2-carbonyl)amino]acetic acid
CID 134204800
2-[[5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134313211
2-[[5-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 170066297
2-[[5-(3-fluorophenoxy)-3-hydroxypyridine-2-carbonyl]amino]acetic acid
CID 134472428

Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid (CID 134526591) is 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ncc(-c2cc#cc(C(=O)N3CCCC3)c2)cc1O.
What is the InChIKey of 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid?
The InChIKey is RAPBNMFBOQPOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5/c23-15-9-14(10-20-17(15)18(26)21-11-16(24)25)12-4-3-5-13(8-12)19(27)22-6-1-2-7-22/h4,8-10,23H,1-2,6-7,11H2,(H,21,26)(H,24,25).
What are the key properties of 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid?
2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid has a molecular weight of 367.36 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-5-[5-(pyrrolidine-1-carbonyl)cyclohexa-1,5-dien-3-yn-1-yl]pyridine-2-carbonyl]amino]acetic acid is sourced from PubChem (CID 134526591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).