6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide

C23H38ClFN4O — CID 71496047

IUPAC6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(F)c(Cl)nc1NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H38ClFN4O/c1-7-9-10-15(8-2)14-26-21(30)17-11-18(25)19(24)28-20(17)27-16-12-22(3,4)29-23(5,6)13-16/h11,15-16,29H,7-10,12-14H2,1-6H3,(H,26,30)(H,27,28)
InChIKeyWBLQPVHKDNZAIL-UHFFFAOYSA-N
MW441.04 g/mol
LogP5.54
Rot. Bonds9

About 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide

6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide (PubChem CID 71496047) has the molecular formula C23H38ClFN4O and a molecular weight of 441.04 g/mol. Its IUPAC name is 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide
PubChem CID71496047
Molecular FormulaC23H38ClFN4O
Molecular Weight441.04 g/mol
Exact Mass440.27
IUPAC Name6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide
SMILESCCCCC(CC)CNC(=O)c1cc(F)c(Cl)nc1NC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C23H38ClFN4O/c1-7-9-10-15(8-2)14-26-21(30)17-11-18(25)19(24)28-20(17)27-16-12-22(3,4)29-23(5,6)13-16/h11,15-16,29H,7-10,12-14H2,1-6H3,(H,26,30)(H,27,28)
InChIKeyWBLQPVHKDNZAIL-UHFFFAOYSA-N
XLogP5.54
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.04
LogP ≤ 55.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide with MolForge

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Related Compounds

(S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
CID 11569938
5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-cyclopropylpiperazin-1-yl)-N-ethylnicotinamide
CID 53319882
5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 58317422
5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 59186819
US11377438, Example 27
CID 166595913
5-Chloro-6-[[1-(cyclopropanecarbonyl)piperidin-4-yl]amino]pyridine-3-carboxamide
CID 47059451
{6-Chloro-5-fluoro-2-[(4-pyridylmethyl)amino](3-pyridyl)}-n-[4-(methylethyl)phenyl]carboxamide
CID 10222542
7-[(3S)-3-[(1R)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoropyrido[2,3-d]pyrimidine-2,4-dione
CID 10384489
2,7-Diamino-6-(1-aminoethyl)-5-(2-chloro-5-fluorophenyl)-3-methylpyrido[2,3-d]pyrimidin-4-one
CID 11703274
7-Chloro-1-cyclohexyl-2-(cyclohexylamino)-6-fluoro-1,8-naphthyridin-4-one
CID 20791113
7-Chloro-6-fluoro-1-propan-2-yl-2-(propan-2-ylamino)-1,8-naphthyridin-4-one
CID 20791120
7-chloro-1-cyclopropyl-6-fluoro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide (CID 71496047) is 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide is CCCCC(CC)CNC(=O)c1cc(F)c(Cl)nc1NC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide?
The InChIKey is WBLQPVHKDNZAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38ClFN4O/c1-7-9-10-15(8-2)14-26-21(30)17-11-18(25)19(24)28-20(17)27-16-12-22(3,4)29-23(5,6)13-16/h11,15-16,29H,7-10,12-14H2,1-6H3,(H,26,30)(H,27,28).
What are the key properties of 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide?
6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 441.04 g/mol, XLogP of 5.54, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-ethylhexyl)-5-fluoro-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 71496047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).