(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C12H14F3N3O — CID 116572944

IUPAC(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCc1cnc(N)c(C(=O)C2(C(F)(F)F)CCNC2)c1
InChIInChI=1S/C12H14F3N3O/c1-7-4-8(10(16)18-5-7)9(19)11(12(13,14)15)2-3-17-6-11/h4-5,17H,2-3,6H2,1H3,(H2,16,18)
InChIKeyGXCJZIZGMPYDQR-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.70
Rot. Bonds2

About (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572944) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572944
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESCc1cnc(N)c(C(=O)C2(C(F)(F)F)CCNC2)c1
InChIInChI=1S/C12H14F3N3O/c1-7-4-8(10(16)18-5-7)9(19)11(12(13,14)15)2-3-17-6-11/h4-5,17H,2-3,6H2,1H3,(H2,16,18)
InChIKeyGXCJZIZGMPYDQR-UHFFFAOYSA-N
XLogP1.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572944) is (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is Cc1cnc(N)c(C(=O)C2(C(F)(F)F)CCNC2)c1.
What is the InChIKey of (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is GXCJZIZGMPYDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-7-4-8(10(16)18-5-7)9(19)11(12(13,14)15)2-3-17-6-11/h4-5,17H,2-3,6H2,1H3,(H2,16,18).
What are the key properties of (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
(2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 273.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-methyl-3-pyridinyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).