N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide

C19H14F3N3O2 — CID 90459921

IUPACN-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
SMILESNc1cc(NC(=O)c2ccc(-c3ccccc3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)27-17-9-7-14(10-15(17)23)25-18(26)13-6-8-16(24-11-13)12-4-2-1-3-5-12/h1-11H,23H2,(H,25,26)
InChIKeyDXACZJDYOXOCQJ-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.48
Rot. Bonds4

About N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide

N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide (PubChem CID 90459921) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
PubChem CID90459921
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC NameN-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide
SMILESNc1cc(NC(=O)c2ccc(-c3ccccc3)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)27-17-9-7-14(10-15(17)23)25-18(26)13-6-8-16(24-11-13)12-4-2-1-3-5-12/h1-11H,23H2,(H,25,26)
InChIKeyDXACZJDYOXOCQJ-UHFFFAOYSA-N
XLogP4.48
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[6-(2-fluorophenyl)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 90459684
3-amino-N-(5-phenylpyrimidin-2-yl)-4-(trifluoromethoxy)benzamide
CID 118385340
6-(3,5-difluorophenyl)-N-[3-nitro-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 90459277
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
CID 11450343
N-(3-methoxyphenyl)-6-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 42803007
N-[3-[[(2R)-2-amino-3,3,3-trifluoropropanoyl]amino]-4-(trifluoromethoxy)phenyl]-4-phenylbenzamide
CID 118877652
N-phenyl-6-pyridin-4-ylpyridine-3-carboxamide
CID 174640985
6-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylpyridine-3-carboxamide
CID 170421562
6-(3-fluorophenyl)-N-phenylpyridine-3-carboxamide
CID 53111120
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-6-phenylpyridine-3-carboxamide
CID 22459286
1-N-[6-(2-fluorophenyl)-3-pyridinyl]-3-N-pyridin-4-yl-4-(trifluoromethoxy)benzene-1,3-dicarboxamide
CID 122480415
3-amino-N-(5-pyrimidin-5-yl-1,3,4-thiadiazol-2-yl)-4-(trifluoromethoxy)benzamide
CID 118385774

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide (CID 90459921) is N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide is Nc1cc(NC(=O)c2ccc(-c3ccccc3)nc2)ccc1OC(F)(F)F.
What is the InChIKey of N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is DXACZJDYOXOCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)27-17-9-7-14(10-15(17)23)25-18(26)13-6-8-16(24-11-13)12-4-2-1-3-5-12/h1-11H,23H2,(H,25,26).
What are the key properties of N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide?
N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(trifluoromethoxy)phenyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 90459921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).