2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid

C13H14N4O2 — CID 90407019

IUPAC2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(C3CCNC3)cn2)c1
InChIInChI=1S/C13H14N4O2/c18-13(19)9-1-4-15-11(5-9)12-7-17(8-16-12)10-2-3-14-6-10/h1,4-5,7-8,10,14H,2-3,6H2,(H,18,19)
InChIKeyFVWOSXINYHWYTJ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.18
Rot. Bonds3

About 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid

2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid (PubChem CID 90407019) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid
PubChem CID90407019
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cn(C3CCNC3)cn2)c1
InChIInChI=1S/C13H14N4O2/c18-13(19)9-1-4-15-11(5-9)12-7-17(8-16-12)10-2-3-14-6-10/h1,4-5,7-8,10,14H,2-3,6H2,(H,18,19)
InChIKeyFVWOSXINYHWYTJ-UHFFFAOYSA-N
XLogP1.18
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pf-04991532
CID 46181428
3-(6-Aminopyridin-3-yl)-2-(1-cyclopentyl-1H-imidazol-4-yl)propionic acid
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3-(6-Amino-pyridin-3-yl)-2-(1-methyl-1H-imidazol-4-yl)-propionic acid
CID 9942902
3-(6-Amino-pyridin-3-yl)-2-(1-isopropyl-1H-imidazol-4-yl)-propionic acid
CID 9943447
2-(1-methyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
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2-[[[1-[(E)-3-phenylprop-2-enyl]imidazol-2-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 118421047
2-[(2-Methyl-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl)methyl]pyridine-4-carboxylic acid
CID 118421371
4-(5-Imidazol-1-yl-2-pyridinyl)benzoic acid
CID 118978824
3-(6-Amino-3-pyridinyl)-2-(1-piperidin-4-ylimidazol-4-yl)propanoic acid
CID 11500637
1-(4-Carboxy-2-methylphenyl)-5-(4-(1H-imidazol-1-yl)phenyl)-1H-pyrrole-2-propanoic acid
CID 70691617
US10273222, Example 71
CID 85470886
US10273222, Example 2
CID 86268883

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid (CID 90407019) is 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cn(C3CCNC3)cn2)c1.
What is the InChIKey of 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid?
The InChIKey is FVWOSXINYHWYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13(19)9-1-4-15-11(5-9)12-7-17(8-16-12)10-2-3-14-6-10/h1,4-5,7-8,10,14H,2-3,6H2,(H,18,19).
What are the key properties of 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid?
2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrrolidin-3-ylimidazol-4-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 90407019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).