6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid

C17H24N6O2 — CID 70722106

IUPAC6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)Cc1nnc(C2CCCN(c3ccc(C(=O)O)cn3)C2)n1C
InChIInChI=1S/C17H24N6O2/c1-21(2)11-15-19-20-16(22(15)3)13-5-4-8-23(10-13)14-7-6-12(9-18-14)17(24)25/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,24,25)
InChIKeyFURGRYXJHZEPRT-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.35
Rot. Bonds5

About 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid

6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 70722106) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID70722106
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN(C)Cc1nnc(C2CCCN(c3ccc(C(=O)O)cn3)C2)n1C
InChIInChI=1S/C17H24N6O2/c1-21(2)11-15-19-20-16(22(15)3)13-5-4-8-23(10-13)14-7-6-12(9-18-14)17(24)25/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,24,25)
InChIKeyFURGRYXJHZEPRT-UHFFFAOYSA-N
XLogP1.35
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 95876992
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-pyridin-4-ylpiperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95867068
cyclopropyl-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70752240
N,N-dimethyl-1-[4-methyl-5-[(3S)-1-(4-methylquinolin-2-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methanamine
CID 95860779
5-fluoro-2-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95873641
1-[3-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 70783500
[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 95872332
2,1,3-benzoxadiazol-5-yl-[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95894833
[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70713709
2,1,3-benzoxadiazol-5-yl-[(3S)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 95894834
6-[4-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 72863419
6-[(3R)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 97195658

Frequently Asked Questions

What is the IUPAC name of 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid (CID 70722106) is 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid is CN(C)Cc1nnc(C2CCCN(c3ccc(C(=O)O)cn3)C2)n1C.
What is the InChIKey of 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is FURGRYXJHZEPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)11-15-19-20-16(22(15)3)13-5-4-8-23(10-13)14-7-6-12(9-18-14)17(24)25/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,24,25).
What are the key properties of 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 344.42 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 70722106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).