5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid

C23H27FN4O3 — CID 83290164

IUPAC5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(Nc1cnc(N2CCC(N3CCCCC3)CC2)c(C(=O)O)c1)c1ccccc1F
InChIInChI=1S/C23H27FN4O3/c24-20-7-3-2-6-18(20)22(29)26-16-14-19(23(30)31)21(25-15-16)28-12-8-17(9-13-28)27-10-4-1-5-11-27/h2-3,6-7,14-15,17H,1,4-5,8-13H2,(H,26,29)(H,30,31)
InChIKeyYUTGUVPZCOWXHV-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.63
Rot. Bonds5

About 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid

5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid (PubChem CID 83290164) has the molecular formula C23H27FN4O3 and a molecular weight of 426.49 g/mol. Its IUPAC name is 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
PubChem CID83290164
Molecular FormulaC23H27FN4O3
Molecular Weight426.49 g/mol
Exact Mass426.21
IUPAC Name5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
SMILESO=C(Nc1cnc(N2CCC(N3CCCCC3)CC2)c(C(=O)O)c1)c1ccccc1F
InChIInChI=1S/C23H27FN4O3/c24-20-7-3-2-6-18(20)22(29)26-16-14-19(23(30)31)21(25-15-16)28-12-8-17(9-13-28)27-10-4-1-5-11-27/h2-3,6-7,14-15,17H,1,4-5,8-13H2,(H,26,29)(H,30,31)
InChIKeyYUTGUVPZCOWXHV-UHFFFAOYSA-N
XLogP3.63
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-fluorobenzoyl)amino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53094385
2-[4-(6-chloropyridazin-3-yl)-1,4-diazepan-1-yl]-5-[(2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 53094461
5-[(3,4-dimethylphenyl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53024764
N-benzyl-5-[(2-fluorobenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide
CID 53010611
2-(azepan-1-yl)-5-[(3-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 53094075
2-fluoro-N-[6-(4-piperidin-1-ylanilino)-3-pyridinyl]benzamide
CID 113021055
5-[(2-methylbenzoyl)amino]-2-[4-(2-methylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 83289463
2-(4-ethylpiperazin-1-yl)-5-[(2-methylbenzoyl)amino]pyridine-3-carboxylic acid
CID 46363303
5-[(2-fluorobenzoyl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46363069
5-[(2-methylbenzoyl)amino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53094386
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054643
5-benzamido-2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 86769136

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid (CID 83290164) is 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid is O=C(Nc1cnc(N2CCC(N3CCCCC3)CC2)c(C(=O)O)c1)c1ccccc1F.
What is the InChIKey of 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
The InChIKey is YUTGUVPZCOWXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O3/c24-20-7-3-2-6-18(20)22(29)26-16-14-19(23(30)31)21(25-15-16)28-12-8-17(9-13-28)27-10-4-1-5-11-27/h2-3,6-7,14-15,17H,1,4-5,8-13H2,(H,26,29)(H,30,31).
What are the key properties of 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid?
5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid has a molecular weight of 426.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorobenzoyl)amino]-2-(4-piperidin-1-ylpiperidin-1-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 83290164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).