N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide

C16H15F3N2O2 — CID 2726832

IUPACN-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2/c1-10(2)23-12-5-3-4-11(8-12)21-15(22)13-9-20-7-6-14(13)16(17,18)19/h3-10H,1-2H3,(H,21,22)
InChIKeyBTPOBVFCIPPVDG-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.14
Rot. Bonds4

About N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide

N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2726832) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2726832
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC NameN-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCC(C)Oc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1
InChIInChI=1S/C16H15F3N2O2/c1-10(2)23-12-5-3-4-11(8-12)21-15(22)13-9-20-7-6-14(13)16(17,18)19/h3-10H,1-2H3,(H,21,22)
InChIKeyBTPOBVFCIPPVDG-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide (CID 2726832) is N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide is CC(C)Oc1cccc(NC(=O)c2cnccc2C(F)(F)F)c1.
What is the InChIKey of N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is BTPOBVFCIPPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-10(2)23-12-5-3-4-11(8-12)21-15(22)13-9-20-7-6-14(13)16(17,18)19/h3-10H,1-2H3,(H,21,22).
What are the key properties of N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide?
N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2726832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).