5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid

C14H16N4O2 — CID 174872060

IUPAC5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2cncc(N3CCCC3)c2)nc1C(=O)O
InChIInChI=1S/C14H16N4O2/c1-9-12(14(19)20)17-13(16-9)10-6-11(8-15-7-10)18-4-2-3-5-18/h6-8H,2-5H2,1H3,(H,16,17)(H,19,20)
InChIKeyYOXYDDYECQUBCP-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.08
Rot. Bonds3

About 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid

5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid (PubChem CID 174872060) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid
PubChem CID174872060
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid
SMILESCc1[nH]c(-c2cncc(N3CCCC3)c2)nc1C(=O)O
InChIInChI=1S/C14H16N4O2/c1-9-12(14(19)20)17-13(16-9)10-6-11(8-15-7-10)18-4-2-3-5-18/h6-8H,2-5H2,1H3,(H,16,17)(H,19,20)
InChIKeyYOXYDDYECQUBCP-UHFFFAOYSA-N
XLogP2.08
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 89054
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CID 564988
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CID 12405504
CID 12405504
CID 12405503
CID 12405503
CID 2736254
CID 2736254
CID 2736259
CID 2736259
CID 12405509
CID 12405509
CID 12405510
CID 12405510
CID 12405519
CID 12405519
CID 12405521
CID 12405521
CID 129315451
CID 129315451

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid (CID 174872060) is 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid is Cc1[nH]c(-c2cncc(N3CCCC3)c2)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid?
The InChIKey is YOXYDDYECQUBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-12(14(19)20)17-13(16-9)10-6-11(8-15-7-10)18-4-2-3-5-18/h6-8H,2-5H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid?
5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 174872060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).