N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide

C19H12F5N3O3 — CID 78018870

IUPACN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide
SMILESO=C(NC(c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(O)cn1
InChIInChI=1S/C19H12F5N3O3/c20-12-2-1-7-25-17(12)16(27-18(29)14-5-4-11(28)9-26-14)10-3-6-15(13(21)8-10)30-19(22,23)24/h1-9,16,28H,(H,27,29)
InChIKeyJWNVNXLKBFXAEL-UHFFFAOYSA-N
MW425.31 g/mol
LogP3.88
Rot. Bonds5

About N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide

N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide (PubChem CID 78018870) has the molecular formula C19H12F5N3O3 and a molecular weight of 425.31 g/mol. Its IUPAC name is N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide
PubChem CID78018870
Molecular FormulaC19H12F5N3O3
Molecular Weight425.31 g/mol
Exact Mass425.08
IUPAC NameN-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide
SMILESO=C(NC(c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(O)cn1
InChIInChI=1S/C19H12F5N3O3/c20-12-2-1-7-25-17(12)16(27-18(29)14-5-4-11(28)9-26-14)10-3-6-15(13(21)8-10)30-19(22,23)24/h1-9,16,28H,(H,27,29)
InChIKeyJWNVNXLKBFXAEL-UHFFFAOYSA-N
XLogP3.88
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 71144369
N-[(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxy-6-nitropyridine-2-carboxamide
CID 71144193
1-[(S)-(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-3-pyridin-3-ylurea
CID 71144450
carbamic acid;N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-6-phenylmethoxypyridine-3-carboxamide
CID 71144384
methyl 6-[[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]carbamoyl]pyridine-3-carboxylate
CID 90124881
4-amino-N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-5-hydroxypyridine-2-carboxamide
CID 90225826
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-1-(2-hydroxypropyl)-6-oxopyridine-3-carboxamide
CID 78018918
6-[(3S)-3-(3-fluoro-2-pyridinyl)-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoyl]pyridine-2-carboxylic acid
CID 148594990
N-[(3-bromo-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-2-oxo-3H-1,3-benzoxazole-5-carboxamide
CID 71144319
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide
CID 90124875
N-[(R)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 90124837
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 90124768

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide (CID 78018870) is N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide is O=C(NC(c1ccc(OC(F)(F)F)c(F)c1)c1ncccc1F)c1ccc(O)cn1.
What is the InChIKey of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide?
The InChIKey is JWNVNXLKBFXAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N3O3/c20-12-2-1-7-25-17(12)16(27-18(29)14-5-4-11(28)9-26-14)10-3-6-15(13(21)8-10)30-19(22,23)24/h1-9,16,28H,(H,27,29).
What are the key properties of N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide?
N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide has a molecular weight of 425.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-2-pyridinyl)-[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-5-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 78018870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).