5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C17H14ClF3N2O4 — CID 124875222

IUPAC5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cnc(O[C@H]2CCOC2)c(Cl)c1
InChIInChI=1S/C17H14ClF3N2O4/c18-12-7-10(8-22-16(12)26-11-5-6-25-9-11)15(24)23-13-3-1-2-4-14(13)27-17(19,20)21/h1-4,7-8,11H,5-6,9H2,(H,23,24)/t11-/m0/s1
InChIKeyGKPASEANYBXJEZ-NSHDSACASA-N
MW402.76 g/mol
LogP4.05
Rot. Bonds5

About 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 124875222) has the molecular formula C17H14ClF3N2O4 and a molecular weight of 402.76 g/mol. Its IUPAC name is 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID124875222
Molecular FormulaC17H14ClF3N2O4
Molecular Weight402.76 g/mol
Exact Mass402.06
IUPAC Name5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1OC(F)(F)F)c1cnc(O[C@H]2CCOC2)c(Cl)c1
InChIInChI=1S/C17H14ClF3N2O4/c18-12-7-10(8-22-16(12)26-11-5-6-25-9-11)15(24)23-13-3-1-2-4-14(13)27-17(19,20)21/h1-4,7-8,11H,5-6,9H2,(H,23,24)/t11-/m0/s1
InChIKeyGKPASEANYBXJEZ-NSHDSACASA-N
XLogP4.05
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.76
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(6-methoxy-3-pyridinyl)-6-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124725428
5-chloro-N-[(2-chlorophenyl)methyl]-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124891774
5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[4-(tetrazol-1-yl)phenyl]pyridine-3-carboxamide
CID 124873717
6-methyl-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 18149472
6-methoxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 35204389
N-[2-(trifluoromethoxy)phenyl]naphthalene-2-carboxamide
CID 16572142
N-(2,4-dimethoxyphenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730426
3,5-dimethyl-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 16572159
6-(oxolan-3-yloxy)-N-phenylpyridine-3-carboxamide
CID 91815160
4-chloro-3-(1-methylpyrazol-4-yl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 154348080
4-iodo-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 43034347
N-(4-chlorophenyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730314

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 124875222) is 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1OC(F)(F)F)c1cnc(O[C@H]2CCOC2)c(Cl)c1.
What is the InChIKey of 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is GKPASEANYBXJEZ-NSHDSACASA-N. The full InChI is InChI=1S/C17H14ClF3N2O4/c18-12-7-10(8-22-16(12)26-11-5-6-25-9-11)15(24)23-13-3-1-2-4-14(13)27-17(19,20)21/h1-4,7-8,11H,5-6,9H2,(H,23,24)/t11-/m0/s1.
What are the key properties of 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 402.76 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(3S)-oxolan-3-yl]oxy-N-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 124875222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).