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

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

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Related Compounds

Aurora A inhibitor-9
CID 134140427
(3S)-3-[[2-[6-methyl-2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 44296532
N-cyclopropyl-1-(3-(6-(2-hydroxypropan-2-yl)pyridin-3-yl)phenyl)-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 10203632
5-[6-(Ethylcarbamoylamino)-4-pyridin-3-yl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208362
6'-(3-Ethylureido)-[3,3'-bipyridine]-5-carboxylic acid
CID 59208477
5-[6-(Ethylcarbamoylamino)-4-phenyl-3-pyridinyl]pyridine-3-carboxylic acid
CID 59208494
US11053219, Example 159
CID 155639621
2-[(3-Fluorophenyl)amino]pyridine-3-carboxylic acid
CID 1432603
Brd5529
CID 83288403
(S)-N-({6-[(3-methyl-1-{4-[5-(trifluoromethyl)pyridin-2-yl]phenyl}butyl)amino]pyridin-3-yl}carbonyl)-beta-alanine
CID 67981277
(3S)-3-[[2-[2-oxo-3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylmethylamino)-1-pyridinyl]acetyl]amino]-3-pyridin-3-ylpropanoic acid
CID 44296548
(3S)-3-pyridin-3-yl-3-[[2-[3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]phenyl]acetyl]amino]propanoic acid
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).