N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide

C21H23F3N4O2 — CID 162655083

IUPACN-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC2)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C21H23F3N4O2/c1-13-10-17(19(29)26-15-6-7-15)27-20(25-13)28-9-8-14(11-28)12-30-18-5-3-2-4-16(18)21(22,23)24/h2-5,10,14-15H,6-9,11-12H2,1H3,(H,26,29)
InChIKeyMYOOJAMYRSNILV-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.60
Rot. Bonds6

About N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide

N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide (PubChem CID 162655083) has the molecular formula C21H23F3N4O2 and a molecular weight of 420.44 g/mol. Its IUPAC name is N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
PubChem CID162655083
Molecular FormulaC21H23F3N4O2
Molecular Weight420.44 g/mol
Exact Mass420.18
IUPAC NameN-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CC2)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C21H23F3N4O2/c1-13-10-17(19(29)26-15-6-7-15)27-20(25-13)28-9-8-14(11-28)12-30-18-5-3-2-4-16(18)21(22,23)24/h2-5,10,14-15H,6-9,11-12H2,1H3,(H,26,29)
InChIKeyMYOOJAMYRSNILV-UHFFFAOYSA-N
XLogP3.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide (CID 162655083) is N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CC2)nc(N2CCC(COc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is MYOOJAMYRSNILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N4O2/c1-13-10-17(19(29)26-15-6-7-15)27-20(25-13)28-9-8-14(11-28)12-30-18-5-3-2-4-16(18)21(22,23)24/h2-5,10,14-15H,6-9,11-12H2,1H3,(H,26,29).
What are the key properties of N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide?
N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-methyl-2-[3-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 162655083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).