(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C14H14N4O3 — CID 78921306

IUPAC(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H14N4O3/c19-13(18-6-1-2-11(18)14(20)21)10-3-4-12(16-8-10)17-7-5-15-9-17/h3-5,7-9,11H,1-2,6H2,(H,20,21)/t11-/m1/s1
InChIKeyQQGWTVRWSVHEFM-LLVKDONJSA-N
MW286.29 g/mol
LogP0.96
Rot. Bonds3

About (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 78921306) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID78921306
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C14H14N4O3/c19-13(18-6-1-2-11(18)14(20)21)10-3-4-12(16-8-10)17-7-5-15-9-17/h3-5,7-9,11H,1-2,6H2,(H,20,21)/t11-/m1/s1
InChIKeyQQGWTVRWSVHEFM-LLVKDONJSA-N
XLogP0.96
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 97314443
(2R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371097
1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356013
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584
(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366174
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
(6-imidazol-1-yl-3-pyridinyl)-[2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]methanone
CID 110105665
(2R)-1-[4-(imidazol-1-ylmethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371177
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
[(3S)-3-ethoxypiperidin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 95583611
(4-ethoxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 56817726
(4-ethylphenyl)-[4-(6-imidazol-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 32772858

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 78921306) is (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QQGWTVRWSVHEFM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14N4O3/c19-13(18-6-1-2-11(18)14(20)21)10-3-4-12(16-8-10)17-7-5-15-9-17/h3-5,7-9,11H,1-2,6H2,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-imidazol-1-ylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78921306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).