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

N,5-dimethyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-N-propan-2-yl-1H-imidazole-4-carboxamide
CID 129315839
(3,3-dimethylazetidin-1-yl)-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanone
CID 129315394
3-methyl-5-pyrrolidin-1-ylpyridine
CID 89217825
2-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 6622478
5-methyl-2-(1-methylimidazol-4-yl)-1H-imidazole-4-carboxylic acid
CID 131615798
5-pyrrolidin-1-ylpyridin-3-ol
CID 66521166
2-(3H-benzimidazol-5-yl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 82373683
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazole-4-carboxamide
CID 129315581
5-piperidin-1-ylpyridin-3-ol
CID 66521117
5-(azepan-1-yl)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109241324
3-(1-ethyltriazol-4-yl)-5-piperidin-1-ylpyridine
CID 176815874
N-(1-phenylethyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225708

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).