3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide

C21H14Cl2F3N3O4 — CID 163301177

IUPAC3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C21H14Cl2F3N3O4/c22-13-8-12(9-14(23)18(13)30)19(31)29-15-5-3-7-27-17(15)20(32)28-10-11-4-1-2-6-16(11)33-21(24,25)26/h1-9,30H,10H2,(H,28,32)(H,29,31)
InChIKeyLAMZEUMSBKPNAO-UHFFFAOYSA-N
MW500.26 g/mol
LogP5.17
Rot. Bonds6

About 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide

3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 163301177) has the molecular formula C21H14Cl2F3N3O4 and a molecular weight of 500.26 g/mol. Its IUPAC name is 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
PubChem CID163301177
Molecular FormulaC21H14Cl2F3N3O4
Molecular Weight500.26 g/mol
Exact Mass499.03
IUPAC Name3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccnc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C21H14Cl2F3N3O4/c22-13-8-12(9-14(23)18(13)30)19(31)29-15-5-3-7-27-17(15)20(32)28-10-11-4-1-2-6-16(11)33-21(24,25)26/h1-9,30H,10H2,(H,28,32)(H,29,31)
InChIKeyLAMZEUMSBKPNAO-UHFFFAOYSA-N
XLogP5.17
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.26
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[1-[2-(2-chloroanilino)-2-oxoethyl]pyridin-1-ium-3-yl]methyl]-4-(difluoromethoxy)benzamide chloride
CID 15945115
5-[[2-(2-Chloro-4-fluorophenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845444
5-[[2-(2-Chlorophenoxy)-5-(trifluoromethyl)benzoyl]amino]pyridine-2-carboxylic acid
CID 77845520
Hsd17B13-IN-34
CID 163301026
US20230278981, Example 92
CID 163301033
Hsd17B13-IN-58
CID 163301060
US20230278981, Example 87
CID 163301105
US20230278981, Example 73
CID 163301166
US20230278981, Example 124
CID 163301068
US20230278981, Example 145
CID 168678913
3,5-dichloro-4-methoxy-N-pyridin-3-ylbenzamide
CID 952239
US20230278981, Example 144
CID 163301025

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide (CID 163301177) is 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide is O=C(Nc1cccnc1C(=O)NCc1ccccc1OC(F)(F)F)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is LAMZEUMSBKPNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F3N3O4/c22-13-8-12(9-14(23)18(13)30)19(31)29-15-5-3-7-27-17(15)20(32)28-10-11-4-1-2-6-16(11)33-21(24,25)26/h1-9,30H,10H2,(H,28,32)(H,29,31).
What are the key properties of 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide?
3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 500.26 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dichloro-4-hydroxybenzoyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 163301177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).