N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide

C24H28FN3O5S — CID 58689278

IUPACN-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1ccc(O)cc1O
InChIInChI=1S/C24H28FN3O5S/c25-14-11-20(24(26-13-14)33-18-7-9-34-10-8-18)23(32)28-16-3-1-15(2-4-16)27-22(31)19-6-5-17(29)12-21(19)30/h5-6,11-13,15-16,18,29-30H,1-4,7-10H2,(H,27,31)(H,28,32)
InChIKeyCILPNWDNXXGDBH-UHFFFAOYSA-N
MW489.57 g/mol
LogP3.38
Rot. Bonds6

About N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide

N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide (PubChem CID 58689278) has the molecular formula C24H28FN3O5S and a molecular weight of 489.57 g/mol. Its IUPAC name is N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide
PubChem CID58689278
Molecular FormulaC24H28FN3O5S
Molecular Weight489.57 g/mol
Exact Mass489.17
IUPAC NameN-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide
SMILESO=C(NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1ccc(O)cc1O
InChIInChI=1S/C24H28FN3O5S/c25-14-11-20(24(26-13-14)33-18-7-9-34-10-8-18)23(32)28-16-3-1-15(2-4-16)27-22(31)19-6-5-17(29)12-21(19)30/h5-6,11-13,15-16,18,29-30H,1-4,7-10H2,(H,27,31)(H,28,32)
InChIKeyCILPNWDNXXGDBH-UHFFFAOYSA-N
XLogP3.38
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 53.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-N-[4-[(4-hydroxy-2-methoxybenzoyl)amino]cyclohexyl]-2-(thian-4-yloxy)pyridine-3-carboxamide
CID 11156359
N-[4-[[5-fluoro-2-(thian-4-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]-6-hydroxy-2-methylquinoline-4-carboxamide
CID 58689294
5-fluoro-N-[4-[[(Z,2Z)-2-(1-hydroxyethylidene)pent-3-enoyl]amino]cyclohexyl]-2-(thian-4-yloxy)pyridine-3-carboxamide
CID 142992000
5-fluoro-N-[4-[[2-(3-hydroxypropoxy)-4-methylbenzoyl]amino]cyclohexyl]-2-(thian-4-yloxy)pyridine-3-carboxamide
CID 11387227
N-[4-[[2-(cyclopropylmethoxy)-4-phenylmethoxybenzoyl]amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide
CID 59984562
N-[4-[(2,5-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(4-fluorophenoxy)pyridine-3-carboxamide
CID 10005507
2-cyclohexyloxy-N-(4-methylcyclohexyl)-4-phenylmethoxybenzamide;1-[5-fluoro-2-(thian-4-yloxy)-3-pyridinyl]ethanone;propane
CID 142991985
tert-butyl N-[4-[[5-methyl-2-(thian-4-yloxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
CID 59984567
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
5-fluoro-2-(4-fluorophenoxy)-N-[4-[(3-hydroxyphenyl)methylcarbamoylamino]cyclohexyl]pyridine-3-carboxamide
CID 10006011
2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide
CID 107722193
[4-[[2-(3,4-difluorophenoxy)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]azanium
CID 58591179

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide?
The IUPAC name of N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide (CID 58689278) is N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide is O=C(NC1CCC(NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1)c1ccc(O)cc1O.
What is the InChIKey of N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide?
The InChIKey is CILPNWDNXXGDBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O5S/c25-14-11-20(24(26-13-14)33-18-7-9-34-10-8-18)23(32)28-16-3-1-15(2-4-16)27-22(31)19-6-5-17(29)12-21(19)30/h5-6,11-13,15-16,18,29-30H,1-4,7-10H2,(H,27,31)(H,28,32).
What are the key properties of N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide?
N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide has a molecular weight of 489.57 g/mol, XLogP of 3.38, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dihydroxybenzoyl)amino]cyclohexyl]-5-fluoro-2-(thian-4-yloxy)pyridine-3-carboxamide is sourced from PubChem (CID 58689278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).