N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide

C21H24F3N5O — CID 126838705

IUPACN-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)C2(CCC2)C1
InChIInChI=1S/C21H24F3N5O/c1-2-18(30)26-15-6-10-29(20(12-15)7-4-8-20)17-11-16(21(22,23)24)27-19(28-17)14-5-3-9-25-13-14/h3,5,9,11,13,15H,2,4,6-8,10,12H2,1H3,(H,26,30)
InChIKeyPMSCKIJKMSNAFX-UHFFFAOYSA-N
MW419.45 g/mol
LogP3.98
Rot. Bonds4

About N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide

N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide (PubChem CID 126838705) has the molecular formula C21H24F3N5O and a molecular weight of 419.45 g/mol. Its IUPAC name is N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide.

Molecular Properties

Compound NameN-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide
PubChem CID126838705
Molecular FormulaC21H24F3N5O
Molecular Weight419.45 g/mol
Exact Mass419.19
IUPAC NameN-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide
SMILESCCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)C2(CCC2)C1
InChIInChI=1S/C21H24F3N5O/c1-2-18(30)26-15-6-10-29(20(12-15)7-4-8-20)17-11-16(21(22,23)24)27-19(28-17)14-5-3-9-25-13-14/h3,5,9,11,13,15H,2,4,6-8,10,12H2,1H3,(H,26,30)
InChIKeyPMSCKIJKMSNAFX-UHFFFAOYSA-N
XLogP3.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide?
The IUPAC name of N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide (CID 126838705) is N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide.
What is the SMILES notation for N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide?
The canonical SMILES for N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide is CCC(=O)NC1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)C2(CCC2)C1.
What is the InChIKey of N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide?
The InChIKey is PMSCKIJKMSNAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O/c1-2-18(30)26-15-6-10-29(20(12-15)7-4-8-20)17-11-16(21(22,23)24)27-19(28-17)14-5-3-9-25-13-14/h3,5,9,11,13,15H,2,4,6-8,10,12H2,1H3,(H,26,30).
What are the key properties of N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide?
N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide has a molecular weight of 419.45 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-5-azaspiro[3.5]nonan-8-yl]propanamide is sourced from PubChem (CID 126838705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).