[6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone

C18H21F3N4O2 — CID 90325010

IUPAC[6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
SMILESCC(C)C[C@@H](N)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C18H21F3N4O2/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)15(25-14)16(26)12-4-3-7-24-17(12)23/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24)/t11-/m1/s1
InChIKeyMFMVDTZNOOYVFR-LLVKDONJSA-N
MW382.39 g/mol
LogP3.06
Rot. Bonds7

About [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone

[6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone (PubChem CID 90325010) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone.

Molecular Properties

Compound Name[6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
PubChem CID90325010
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name[6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone
SMILESCC(C)C[C@@H](N)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1
InChIInChI=1S/C18H21F3N4O2/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)15(25-14)16(26)12-4-3-7-24-17(12)23/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24)/t11-/m1/s1
InChIKeyMFMVDTZNOOYVFR-LLVKDONJSA-N
XLogP3.06
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The IUPAC name of [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone (CID 90325010) is [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone.
What is the SMILES notation for [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The canonical SMILES for [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone is CC(C)C[C@@H](N)COc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.
What is the InChIKey of [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
The InChIKey is MFMVDTZNOOYVFR-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-10(2)8-11(22)9-27-14-6-5-13(18(19,20)21)15(25-14)16(26)12-4-3-7-24-17(12)23/h3-7,10-11H,8-9,22H2,1-2H3,(H2,23,24)/t11-/m1/s1.
What are the key properties of [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone?
[6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone has a molecular weight of 382.39 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone is sourced from PubChem (CID 90325010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).