2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

C16H20N4O2 — CID 90407653

IUPAC2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN1CCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)CC1
InChIInChI=1S/C16H20N4O2/c1-19-6-3-12(4-7-19)9-20-10-15(18-11-20)14-8-13(16(21)22)2-5-17-14/h2,5,8,10-12H,3-4,6-7,9H2,1H3,(H,21,22)
InChIKeyVOWSMTDZMBRMCG-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.99
Rot. Bonds4

About 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid

2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (PubChem CID 90407653) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
PubChem CID90407653
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid
SMILESCN1CCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)CC1
InChIInChI=1S/C16H20N4O2/c1-19-6-3-12(4-7-19)9-20-10-15(18-11-20)14-8-13(16(21)22)2-5-17-14/h2,5,8,10-12H,3-4,6-7,9H2,1H3,(H,21,22)
InChIKeyVOWSMTDZMBRMCG-UHFFFAOYSA-N
XLogP1.99
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 513903
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CID 11702405
CID 11702405
CID 44308370
CID 44308370
CID 44308385
CID 44308385
CID 9813856
CID 9813856
CID 9857137
CID 9857137
CID 9942902
CID 9942902
CID 9943447
CID 9943447
CID 9966944
CID 9966944

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid (CID 90407653) is 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is CN1CCC(Cn2cnc(-c3cc(C(=O)O)ccn3)c2)CC1.
What is the InChIKey of 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
The InChIKey is VOWSMTDZMBRMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-6-3-12(4-7-19)9-20-10-15(18-11-20)14-8-13(16(21)22)2-5-17-14/h2,5,8,10-12H,3-4,6-7,9H2,1H3,(H,21,22).
What are the key properties of 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid?
2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 90407653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).