3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride

C15H22Cl3F3N4O — CID 119649884

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
SMILESCNCC1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl.Cl.Cl
InChIInChI=1S/C15H20ClF3N4O.2ClH/c1-20-9-11-3-2-6-23(11)13(24)4-5-21-14-12(16)7-10(8-22-14)15(17,18)19;;/h7-8,11,20H,2-6,9H2,1H3,(H,21,22);2*1H
InChIKeySYBFKHANIPFCET-UHFFFAOYSA-N
MW437.72 g/mol
LogP3.61
Rot. Bonds6

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride (PubChem CID 119649884) has the molecular formula C15H22Cl3F3N4O and a molecular weight of 437.72 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
PubChem CID119649884
Molecular FormulaC15H22Cl3F3N4O
Molecular Weight437.72 g/mol
Exact Mass436.08
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride
SMILESCNCC1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl.Cl.Cl
InChIInChI=1S/C15H20ClF3N4O.2ClH/c1-20-9-11-3-2-6-23(11)13(24)4-5-21-14-12(16)7-10(8-22-14)15(17,18)19;;/h7-8,11,20H,2-6,9H2,1H3,(H,21,22);2*1H
InChIKeySYBFKHANIPFCET-UHFFFAOYSA-N
XLogP3.61
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.72
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-1-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 119371778
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 124689294
1-(4-amino-2-methylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 122149046
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120569847
1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 124592082
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(3-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119577909
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-one
CID 120818066
N-(2-amino-2-methylpropyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide;dihydrochloride
CID 119627496
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride
CID 119387456
tert-butyl (2S)-2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 97173311
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(1S)-1-[(3R)-1-cyclobutylpiperidin-3-yl]ethyl]propanamide
CID 97262415
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride (CID 119649884) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride is CNCC1CCCN1C(=O)CCNc1ncc(C(F)(F)F)cc1Cl.Cl.Cl.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride?
The InChIKey is SYBFKHANIPFCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N4O.2ClH/c1-20-9-11-3-2-6-23(11)13(24)4-5-21-14-12(16)7-10(8-22-14)15(17,18)19;;/h7-8,11,20H,2-6,9H2,1H3,(H,21,22);2*1H.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride has a molecular weight of 437.72 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;dihydrochloride is sourced from PubChem (CID 119649884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).