N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide

C18H17F3N2O3 — CID 71499319

IUPACN-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc(COc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)26-15-6-4-14(5-7-15)25-11-13-3-8-16(22-10-13)17(24)23-9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,23,24)
InChIKeyIYQSNHBPYKXCHR-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.70
Rot. Bonds7

About N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide

N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide (PubChem CID 71499319) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide
PubChem CID71499319
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc(COc2ccc(OC(F)(F)F)cc2)cn1
InChIInChI=1S/C18H17F3N2O3/c19-18(20,21)26-15-6-4-14(5-7-15)25-11-13-3-8-16(22-10-13)17(24)23-9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,23,24)
InChIKeyIYQSNHBPYKXCHR-UHFFFAOYSA-N
XLogP3.70
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide (CID 71499319) is N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide is O=C(NCC1CC1)c1ccc(COc2ccc(OC(F)(F)F)cc2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide?
The InChIKey is IYQSNHBPYKXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c19-18(20,21)26-15-6-4-14(5-7-15)25-11-13-3-8-16(22-10-13)17(24)23-9-12-1-2-12/h3-8,10,12H,1-2,9,11H2,(H,23,24).
What are the key properties of N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide?
N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide has a molecular weight of 366.34 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 71499319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).