N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide

C18H18F6N4O — CID 121020228

IUPACN-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(c1ccc(C(F)(F)F)nc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C18H18F6N4O/c19-17(20,21)14-6-5-12(11-25-14)16(29)28(13-3-1-2-4-13)10-9-27-8-7-15(26-27)18(22,23)24/h5-8,11,13H,1-4,9-10H2
InChIKeyZQTHYJUNFFKZJO-UHFFFAOYSA-N
MW420.36 g/mol
LogP4.40
Rot. Bonds5

About N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide

N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide (PubChem CID 121020228) has the molecular formula C18H18F6N4O and a molecular weight of 420.36 g/mol. Its IUPAC name is N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
PubChem CID121020228
Molecular FormulaC18H18F6N4O
Molecular Weight420.36 g/mol
Exact Mass420.14
IUPAC NameN-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide
SMILESO=C(c1ccc(C(F)(F)F)nc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1
InChIInChI=1S/C18H18F6N4O/c19-17(20,21)14-6-5-12(11-25-14)16(29)28(13-3-1-2-4-13)10-9-27-8-7-15(26-27)18(22,23)24/h5-8,11,13H,1-4,9-10H2
InChIKeyZQTHYJUNFFKZJO-UHFFFAOYSA-N
XLogP4.40
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide (CID 121020228) is N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide is O=C(c1ccc(C(F)(F)F)nc1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is ZQTHYJUNFFKZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F6N4O/c19-17(20,21)14-6-5-12(11-25-14)16(29)28(13-3-1-2-4-13)10-9-27-8-7-15(26-27)18(22,23)24/h5-8,11,13H,1-4,9-10H2.
What are the key properties of N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide?
N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 420.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 121020228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).