N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide

C24H24F2N2O2 — CID 58769000

IUPACN-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1
InChIInChI=1S/C24H24F2N2O2/c1-16(2)30-23-12-7-19(15-28-23)24(29)27-14-13-22(17-3-8-20(25)9-4-17)18-5-10-21(26)11-6-18/h3-12,15-16,22H,13-14H2,1-2H3,(H,27,29)
InChIKeyYUSUXDCJVQWUSV-UHFFFAOYSA-N
MW410.46 g/mol
LogP5.10
Rot. Bonds8

About N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide

N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 58769000) has the molecular formula C24H24F2N2O2 and a molecular weight of 410.46 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID58769000
Molecular FormulaC24H24F2N2O2
Molecular Weight410.46 g/mol
Exact Mass410.18
IUPAC NameN-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1
InChIInChI=1S/C24H24F2N2O2/c1-16(2)30-23-12-7-19(15-28-23)24(29)27-14-13-22(17-3-8-20(25)9-4-17)18-5-10-21(26)11-6-18/h3-12,15-16,22H,13-14H2,1-2H3,(H,27,29)
InChIKeyYUSUXDCJVQWUSV-UHFFFAOYSA-N
XLogP5.10
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.46
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119137026
N-[3-(4-fluorophenyl)-3-(3-methylsulfonylphenyl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 58769038
N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
N-[1-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 134016008
2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]butanoic acid
CID 119223780
(2S)-4-methyl-2-[[2-[(6-propan-2-yloxypyridine-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120694902
N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-6-ethoxypyridine-3-carboxamide
CID 87041831
6-[(1R)-1-phenylethoxy]-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 51956127
4-[(4-fluorophenyl)sulfonylamino]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 55847190
N-[3,3-bis(4-fluorophenyl)propyl]-2-phenylpyridine-4-carboxamide
CID 58768948
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604
N-(3,3-diphenylpropyl)-6-[(3R)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 100730209

Frequently Asked Questions

What is the IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 58769000) is N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)NCCC(c2ccc(F)cc2)c2ccc(F)cc2)cn1.
What is the InChIKey of N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is YUSUXDCJVQWUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N2O2/c1-16(2)30-23-12-7-19(15-28-23)24(29)27-14-13-22(17-3-8-20(25)9-4-17)18-5-10-21(26)11-6-18/h3-12,15-16,22H,13-14H2,1-2H3,(H,27,29).
What are the key properties of N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide?
N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 410.46 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-bis(4-fluorophenyl)propyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 58769000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).