3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid

C16H20N4O2 — CID 158842110

IUPAC3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1cn(C2CCNCC2)nc1Cc1cnccc1C(=O)O
InChIInChI=1S/C16H20N4O2/c1-11-10-20(13-2-5-17-6-3-13)19-15(11)8-12-9-18-7-4-14(12)16(21)22/h4,7,9-10,13,17H,2-3,5-6,8H2,1H3,(H,21,22)
InChIKeyIYJGWGPNMJGARI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.80
Rot. Bonds4

About 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid

3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid (PubChem CID 158842110) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
PubChem CID158842110
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
SMILESCc1cn(C2CCNCC2)nc1Cc1cnccc1C(=O)O
InChIInChI=1S/C16H20N4O2/c1-11-10-20(13-2-5-17-6-3-13)19-15(11)8-12-9-18-7-4-14(12)16(21)22/h4,7,9-10,13,17H,2-3,5-6,8H2,1H3,(H,21,22)
InChIKeyIYJGWGPNMJGARI-UHFFFAOYSA-N
XLogP1.80
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-methyl-1-(1-propan-2-ylpiperidin-4-yl)pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 148965613
3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylic acid;methyl 3-[[1-(1-ethylpiperidin-4-yl)-3-methylpyrazol-4-yl]methyl]pyridine-4-carboxylate;methyl 3-[(3-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate;methyl 3-[(5-methyl-1-piperidin-4-ylpyrazol-4-yl)methyl]pyridine-4-carboxylate
CID 159530833
3-[[3-methyl-1-[(4S)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 157319289
3-[[3-methyl-1-[(4R)-4-methylpyrrolidin-3-yl]pyrazol-4-yl]methyl]pyridine-4-carboxylic acid
CID 147065342
3-[(1-methyl-4-phenylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid
CID 153148612
3-[(4-fluorophenyl)methyl]pyridine-4-carboxylic acid
CID 150942851
3-[2-(2-cyclopropyl-5-methylphenyl)ethyl]pyridine-4-carboxylic acid
CID 147827260
3-(hydroxymethyl)pyridine-4-carboxylic acid
CID 12758257
3-[[3-methyl-1-(1-phenylpiperidin-4-yl)pyrazol-4-yl]amino]pyridine-4-carboxylic acid
CID 118961719
3-(2-hydroxypropyl)pyridine-4-carboxylic acid
CID 165349315
3-[[5-fluoro-1-(oxan-4-ylmethyl)indazol-3-yl]methyl]pyridine-4-carboxylic acid
CID 148595115
4-[ethyl(piperidin-4-yl)amino]-2-methylbenzoic acid
CID 113400006

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid (CID 158842110) is 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid is Cc1cn(C2CCNCC2)nc1Cc1cnccc1C(=O)O.
What is the InChIKey of 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
The InChIKey is IYJGWGPNMJGARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-11-10-20(13-2-5-17-6-3-13)19-15(11)8-12-9-18-7-4-14(12)16(21)22/h4,7,9-10,13,17H,2-3,5-6,8H2,1H3,(H,21,22).
What are the key properties of 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid?
3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1-piperidin-4-ylpyrazol-3-yl)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 158842110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).