N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C21H28F3N5O2 — CID 146402305

IUPACN-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1nn(C)cc1[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C21H28F3N5O2/c1-13-14(10-29(5)27-13)15-9-28(4)11-17(15)26-19(30)20(2,3)12-31-18-16(21(22,23)24)7-6-8-25-18/h6-8,10,15,17H,9,11-12H2,1-5H3,(H,26,30)/t15-,17+/m0/s1
InChIKeyKDRHMWIYPRNREI-DOTOQJQBSA-N
MW439.48 g/mol
LogP2.76
Rot. Bonds6

About N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 146402305) has the molecular formula C21H28F3N5O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID146402305
Molecular FormulaC21H28F3N5O2
Molecular Weight439.48 g/mol
Exact Mass439.22
IUPAC NameN-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCc1nn(C)cc1[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F
InChIInChI=1S/C21H28F3N5O2/c1-13-14(10-29(5)27-13)15-9-28(4)11-17(15)26-19(30)20(2,3)12-31-18-16(21(22,23)24)7-6-8-25-18/h6-8,10,15,17H,9,11-12H2,1-5H3,(H,26,30)/t15-,17+/m0/s1
InChIKeyKDRHMWIYPRNREI-DOTOQJQBSA-N
XLogP2.76
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 146402305) is N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is Cc1nn(C)cc1[C@@H]1CN(C)C[C@H]1NC(=O)C(C)(C)COc1ncccc1C(F)(F)F.
What is the InChIKey of N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is KDRHMWIYPRNREI-DOTOQJQBSA-N. The full InChI is InChI=1S/C21H28F3N5O2/c1-13-14(10-29(5)27-13)15-9-28(4)11-17(15)26-19(30)20(2,3)12-31-18-16(21(22,23)24)7-6-8-25-18/h6-8,10,15,17H,9,11-12H2,1-5H3,(H,26,30)/t15-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 439.48 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(1,3-dimethylpyrazol-4-yl)-1-methylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 146402305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).