2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide

C22H19FN6O2 — CID 135347778

IUPAC2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccccn3)ccc2F)n1
InChIInChI=1S/C22H19FN6O2/c1-14(2)29-13-25-28-21(29)18-6-5-7-19(26-18)27-22(30)16-12-15(9-10-17(16)23)31-20-8-3-4-11-24-20/h3-14H,1-2H3,(H,26,27,30)
InChIKeyWETOOYFXSGDYEQ-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.50
Rot. Bonds6

About 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide

2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide (PubChem CID 135347778) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide
PubChem CID135347778
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide
SMILESCC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccccn3)ccc2F)n1
InChIInChI=1S/C22H19FN6O2/c1-14(2)29-13-25-28-21(29)18-6-5-7-19(26-18)27-22(30)16-12-15(9-10-17(16)23)31-20-8-3-4-11-24-20/h3-14H,1-2H3,(H,26,27,30)
InChIKeyWETOOYFXSGDYEQ-UHFFFAOYSA-N
XLogP4.50
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide with MolForge

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Related Compounds

Ask1-IN-6
CID 153384510
(7S)-7-methyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12,14,16,20,22-octaen-18-one
CID 140430627
N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
CID 146282358
2-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyridine-3-carboxamide
CID 153384514
N-[3-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708566
N-[6-(3,5-dimethylpyrazol-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454940
N-[3-(imidazo[1,2-b]pyridazin-6-yloxy)phenyl]benzamide
CID 57441057
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-phenylbenzamide
CID 57441068
3-(imidazo[1,2-b]pyridazin-6-yloxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 57505784
N-[3-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-fluorobenzamide
CID 57708543
N-[3-[2-(cyclohexanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-3-fluorobenzamide
CID 57708545
N-[6-[3-[(3-fluorobenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]oxane-4-carboxamide
CID 57708574

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide?
The IUPAC name of 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide (CID 135347778) is 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide.
What is the SMILES notation for 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide?
The canonical SMILES for 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide is CC(C)n1cnnc1-c1cccc(NC(=O)c2cc(Oc3ccccn3)ccc2F)n1.
What is the InChIKey of 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide?
The InChIKey is WETOOYFXSGDYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-14(2)29-13-25-28-21(29)18-6-5-7-19(26-18)27-22(30)16-12-15(9-10-17(16)23)31-20-8-3-4-11-24-20/h3-14H,1-2H3,(H,26,27,30).
What are the key properties of 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide?
2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide has a molecular weight of 418.43 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-pyridin-2-yloxybenzamide is sourced from PubChem (CID 135347778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).