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

C23H21FN4O3 — CID 59743979

IUPAC6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1
InChIInChI=1S/C23H21FN4O3/c24-18-3-1-2-15(12-18)20-6-4-16(13-25-20)22(29)27-19-8-10-28(11-9-19)21-7-5-17(14-26-21)23(30)31/h1-7,12-14,19H,8-11H2,(H,27,29)(H,30,31)
InChIKeyKGVYMNFOYANNPI-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.38
Rot. Bonds5

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

6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 59743979) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID59743979
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1
InChIInChI=1S/C23H21FN4O3/c24-18-3-1-2-15(12-18)20-6-4-16(13-25-20)22(29)27-19-8-10-28(11-9-19)21-7-5-17(14-26-21)23(30)31/h1-7,12-14,19H,8-11H2,(H,27,29)(H,30,31)
InChIKeyKGVYMNFOYANNPI-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

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Related Compounds

CID 134140427
CID 134140427
CID 44296532
CID 44296532
CID 10203632
CID 10203632
CID 59208362
CID 59208362
CID 59208477
CID 59208477
CID 59208494
CID 59208494
CID 155639621
CID 155639621
CID 1432603
CID 1432603
CID 83288403
CID 83288403
CID 67981277
CID 67981277
CID 44296548
CID 44296548
CID 44296903
CID 44296903

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid (CID 59743979) is 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1ccc(N2CCC(NC(=O)c3ccc(-c4cccc(F)c4)nc3)CC2)nc1.
What is the InChIKey of 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is KGVYMNFOYANNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c24-18-3-1-2-15(12-18)20-6-4-16(13-25-20)22(29)27-19-8-10-28(11-9-19)21-7-5-17(14-26-21)23(30)31/h1-7,12-14,19H,8-11H2,(H,27,29)(H,30,31).
What are the key properties of 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[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 6-[4-[[6-(3-fluorophenyl)pyridine-3-carbonyl]amino]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59743979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).