3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride

C14H20Cl3F3N4O — CID 119387456

IUPAC3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride
SMILESCl.Cl.O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC1CCNCC1
InChIInChI=1S/C14H18ClF3N4O.2ClH/c15-11-7-9(14(16,17)18)8-21-13(11)20-6-3-12(23)22-10-1-4-19-5-2-10;;/h7-8,10,19H,1-6H2,(H,20,21)(H,22,23);2*1H
InChIKeySEIWDVZTIHQQTN-UHFFFAOYSA-N
MW423.69 g/mol
LogP3.27
Rot. Bonds5

About 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride (PubChem CID 119387456) has the molecular formula C14H20Cl3F3N4O and a molecular weight of 423.69 g/mol. Its IUPAC name is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride
PubChem CID119387456
Molecular FormulaC14H20Cl3F3N4O
Molecular Weight423.69 g/mol
Exact Mass422.07
IUPAC Name3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride
SMILESCl.Cl.O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC1CCNCC1
InChIInChI=1S/C14H18ClF3N4O.2ClH/c15-11-7-9(14(16,17)18)8-21-13(11)20-6-3-12(23)22-10-1-4-19-5-2-10;;/h7-8,10,19H,1-6H2,(H,20,21)(H,22,23);2*1H
InChIKeySEIWDVZTIHQQTN-UHFFFAOYSA-N
XLogP3.27
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.69
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119531011
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]-1-(3-methylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119577909
N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 2773862
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)propanamide
CID 154837904
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-(2,3-dimethylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120569847
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-cyclopropylacetamide
CID 1491758
3-[3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanoylamino]butanoic acid
CID 119347900
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652715
3-chloro-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97165073
N-(2-amino-2-ethylbutyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119641211

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride?
The IUPAC name of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride (CID 119387456) is 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride is Cl.Cl.O=C(CCNc1ncc(C(F)(F)F)cc1Cl)NC1CCNCC1.
What is the InChIKey of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride?
The InChIKey is SEIWDVZTIHQQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N4O.2ClH/c15-11-7-9(14(16,17)18)8-21-13(11)20-6-3-12(23)22-10-1-4-19-5-2-10;;/h7-8,10,19H,1-6H2,(H,20,21)(H,22,23);2*1H.
What are the key properties of 3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride?
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-piperidin-4-ylpropanamide;dihydrochloride has a molecular weight of 423.69 g/mol, XLogP of 3.27, 5 rotatable bonds, 3 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]-N-piperidin-4-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119387456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).