6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid

C19H27N5O2 — CID 72887614

IUPAC6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCN(C)CCCn1ccnc1C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C19H27N5O2/c1-22(2)10-4-11-24-14-9-20-18(24)15-7-12-23(13-8-15)17-6-3-5-16(21-17)19(25)26/h3,5-6,9,14-15H,4,7-8,10-13H2,1-2H3,(H,25,26)
InChIKeyCHXWVRWGYJGMBP-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.31
Rot. Bonds7

About 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 72887614) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID72887614
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid
SMILESCN(C)CCCn1ccnc1C1CCN(c2cccc(C(=O)O)n2)CC1
InChIInChI=1S/C19H27N5O2/c1-22(2)10-4-11-24-14-9-20-18(24)15-7-12-23(13-8-15)17-6-3-5-16(21-17)19(25)26/h3,5-6,9,14-15H,4,7-8,10-13H2,1-2H3,(H,25,26)
InChIKeyCHXWVRWGYJGMBP-UHFFFAOYSA-N
XLogP2.31
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid (CID 72887614) is 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid is CN(C)CCCn1ccnc1C1CCN(c2cccc(C(=O)O)n2)CC1.
What is the InChIKey of 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is CHXWVRWGYJGMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-22(2)10-4-11-24-14-9-20-18(24)15-7-12-23(13-8-15)17-6-3-5-16(21-17)19(25)26/h3,5-6,9,14-15H,4,7-8,10-13H2,1-2H3,(H,25,26).
What are the key properties of 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 357.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 72887614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).