5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide

C25H26FN3O2 — CID 66654909

IUPAC5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCC(C)C1(c2c(F)c(-c3ccccc3)nc(C(N)=O)c2-c2cccnc2)CCCCO1
InChIInChI=1S/C25H26FN3O2/c1-16(2)25(12-6-7-14-31-25)20-19(18-11-8-13-28-15-18)23(24(27)30)29-22(21(20)26)17-9-4-3-5-10-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H2,27,30)
InChIKeyDDFNBRJCQCAJQI-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.10
Rot. Bonds5

About 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide

5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 66654909) has the molecular formula C25H26FN3O2 and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
PubChem CID66654909
Molecular FormulaC25H26FN3O2
Molecular Weight419.50 g/mol
Exact Mass419.20
IUPAC Name5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide
SMILESCC(C)C1(c2c(F)c(-c3ccccc3)nc(C(N)=O)c2-c2cccnc2)CCCCO1
InChIInChI=1S/C25H26FN3O2/c1-16(2)25(12-6-7-14-31-25)20-19(18-11-8-13-28-15-18)23(24(27)30)29-22(21(20)26)17-9-4-3-5-10-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H2,27,30)
InChIKeyDDFNBRJCQCAJQI-UHFFFAOYSA-N
XLogP5.10
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide (CID 66654909) is 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide is CC(C)C1(c2c(F)c(-c3ccccc3)nc(C(N)=O)c2-c2cccnc2)CCCCO1.
What is the InChIKey of 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is DDFNBRJCQCAJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN3O2/c1-16(2)25(12-6-7-14-31-25)20-19(18-11-8-13-28-15-18)23(24(27)30)29-22(21(20)26)17-9-4-3-5-10-17/h3-5,8-11,13,15-16H,6-7,12,14H2,1-2H3,(H2,27,30).
What are the key properties of 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide?
5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 419.50 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-phenyl-4-(2-propan-2-yloxan-2-yl)-3-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 66654909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).