3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid

C11H13N3O3 — CID 69360185

IUPAC3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)C1)c1ccncc1
InChIInChI=1S/C11H13N3O3/c15-10(8-1-4-12-5-2-8)13-9-3-6-14(7-9)11(16)17/h1-2,4-5,9H,3,6-7H2,(H,13,15)(H,16,17)
InChIKeyPGCBMCWMOOZHLE-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.56
Rot. Bonds2

About 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid

3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid (PubChem CID 69360185) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
PubChem CID69360185
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)C1)c1ccncc1
InChIInChI=1S/C11H13N3O3/c15-10(8-1-4-12-5-2-8)13-9-3-6-14(7-9)11(16)17/h1-2,4-5,9H,3,6-7H2,(H,13,15)(H,16,17)
InChIKeyPGCBMCWMOOZHLE-UHFFFAOYSA-N
XLogP0.56
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
3-[(4-iodobenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 174192999
3-[(2-fluoropyridine-4-carbonyl)amino]pyrrolidine-1-carboxylic acid
CID 122590844
tert-butyl 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylate
CID 66630666
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
N-[1-(2-chloropropanoyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108562448
3-(dimethylamino)-N-[(3R)-1-(pyridine-4-carbonyl)pyrrolidin-3-yl]benzamide
CID 96997991
3-[(4-iodobenzoyl)amino]piperidine-1-carboxylic acid
CID 69078497
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
(3R)-3-[(4-furo[3,2-c]pyridin-4-ylbenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 170171245

Frequently Asked Questions

What is the IUPAC name of 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid (CID 69360185) is 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid is O=C(NC1CCN(C(=O)O)C1)c1ccncc1.
What is the InChIKey of 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid?
The InChIKey is PGCBMCWMOOZHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c15-10(8-1-4-12-5-2-8)13-9-3-6-14(7-9)11(16)17/h1-2,4-5,9H,3,6-7H2,(H,13,15)(H,16,17).
What are the key properties of 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid?
3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridine-4-carbonylamino)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69360185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).