4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid

C23H21FN4O3 — CID 90747327

IUPAC4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(NC1CCN(c2ccncc2C(=O)O)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H21FN4O3/c24-17-3-1-2-15(12-17)20-5-4-16(13-26-20)22(29)27-18-7-10-28(11-8-18)21-6-9-25-14-19(21)23(30)31/h1-6,9,12-14,18H,7-8,10-11H2,(H,27,29)(H,30,31)
InChIKeyAVPRJGPAXMQKJM-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.38
Rot. Bonds5

About 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid

4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 90747327) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID90747327
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(NC1CCN(c2ccncc2C(=O)O)CC1)c1ccc(-c2cccc(F)c2)nc1
InChIInChI=1S/C23H21FN4O3/c24-17-3-1-2-15(12-17)20-5-4-16(13-26-20)22(29)27-18-7-10-28(11-8-18)21-6-9-25-14-19(21)23(30)31/h1-6,9,12-14,18H,7-8,10-11H2,(H,27,29)(H,30,31)
InChIKeyAVPRJGPAXMQKJM-UHFFFAOYSA-N
XLogP3.38
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

Pf-05105679
CID 60195662
2-{3-[4-(Pyridin-2-yl)phenyl]propanamido}benzoic acid
CID 11566404
4'-[(2-Aminoethyl)carbamoyl]-2,2'-Bipyridine-4-Carboxylic Acid
CID 45377880
4'-[(2-Phenylethyl)carbamoyl][2,2'-Bipyridine]-4-Carboxylic Acid
CID 45378188
4-[3-[5-oxo-4-(quinolin-5-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-2-yl]phenyl]benzoic acid
CID 53494803
4-fluoro-3-[[[(1R)-1-(4-fluorophenyl)ethyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288012
3-[[[(1R)-1-(4-fluorophenyl)propyl]-(quinoline-3-carbonyl)amino]methyl]benzoic acid
CID 68288164
(S)-6-(((4-(Trifluoromethyl)phenyl)(3-(trifluoromethyl)-pyridin-2-yl)methyl)carbamoyl)nicotinic Acid
CID 86687975
2-[[[(3R)-2-oxo-1-[(1R)-1-phenylethyl]piperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 91938043
2-[[[(3S)-2-oxo-1-[(1R)-1-phenylethyl]piperidin-3-yl]methylamino]methyl]pyridine-4-carboxylic acid
CID 127030272
2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]pyridine-3-carboxylic acid
CID 132055344
2-(4-((4-Tert-butylphenyl)carbamoyl)phenyl)nicotinic acid
CID 44416759

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid (CID 90747327) is 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(NC1CCN(c2ccncc2C(=O)O)CC1)c1ccc(-c2cccc(F)c2)nc1.
What is the InChIKey of 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is AVPRJGPAXMQKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c24-17-3-1-2-15(12-17)20-5-4-16(13-26-20)22(29)27-18-7-10-28(11-8-18)21-6-9-25-14-19(21)23(30)31/h1-6,9,12-14,18H,7-8,10-11H2,(H,27,29)(H,30,31).
What are the key properties of 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 420.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 90747327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).