N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide

C19H13ClF3N3O2 — CID 23632659

IUPACN-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13ClF3N3O2/c20-15-5-1-2-6-16(15)26-18(27)14-4-3-11-24-17(14)25-12-7-9-13(10-8-12)28-19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyVTSZRYIKVZFOCB-UHFFFAOYSA-N
MW407.78 g/mol
LogP5.63
Rot. Bonds5

About N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide

N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide (PubChem CID 23632659) has the molecular formula C19H13ClF3N3O2 and a molecular weight of 407.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
PubChem CID23632659
Molecular FormulaC19H13ClF3N3O2
Molecular Weight407.78 g/mol
Exact Mass407.06
IUPAC NameN-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C19H13ClF3N3O2/c20-15-5-1-2-6-16(15)26-18(27)14-4-3-11-24-17(14)25-12-7-9-13(10-8-12)28-19(21,22)23/h1-11H,(H,24,25)(H,26,27)
InChIKeyVTSZRYIKVZFOCB-UHFFFAOYSA-N
XLogP5.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.78
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632891
N-(4-fluorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 23632434
2-(4-bromoanilino)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 23632649
2-(2-bromoanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632906
N-(2-chlorophenyl)-2-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 23632653
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
2-(3-fluoroanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632897
2-(3-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 23632895
2-[4-(trifluoromethoxy)anilino]pyridine-3-carbothioamide
CID 28514655
N-(2-bromophenyl)-2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 23632776
N-(2-anilino-3-pyridinyl)-2-(4-fluoroanilino)pyridine-3-carboxamide
CID 118724324
2-(2-chloroanilino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632330

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide (CID 23632659) is N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide is O=C(Nc1ccccc1Cl)c1cccnc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
The InChIKey is VTSZRYIKVZFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClF3N3O2/c20-15-5-1-2-6-16(15)26-18(27)14-4-3-11-24-17(14)25-12-7-9-13(10-8-12)28-19(21,22)23/h1-11H,(H,24,25)(H,26,27).
What are the key properties of N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide?
N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide has a molecular weight of 407.78 g/mol, XLogP of 5.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(trifluoromethoxy)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 23632659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).