(1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C15H17F3N4 — CID 97221902

IUPAC(1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)[C@@H](CNc1cc(C(F)(F)F)ccn1)c1cccnc1
InChIInChI=1S/C15H17F3N4/c1-22(2)13(11-4-3-6-19-9-11)10-21-14-8-12(5-7-20-14)15(16,17)18/h3-9,13H,10H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyNLWDQRAMJGTJLP-ZDUSSCGKSA-N
MW310.32 g/mol
LogP3.21
Rot. Bonds5

About (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

(1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 97221902) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound Name(1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID97221902
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name(1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCN(C)[C@@H](CNc1cc(C(F)(F)F)ccn1)c1cccnc1
InChIInChI=1S/C15H17F3N4/c1-22(2)13(11-4-3-6-19-9-11)10-21-14-8-12(5-7-20-14)15(16,17)18/h3-9,13H,10H2,1-2H3,(H,20,21)/t13-/m0/s1
InChIKeyNLWDQRAMJGTJLP-ZDUSSCGKSA-N
XLogP3.21
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 97221902) is (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is CN(C)[C@@H](CNc1cc(C(F)(F)F)ccn1)c1cccnc1.
What is the InChIKey of (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is NLWDQRAMJGTJLP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H17F3N4/c1-22(2)13(11-4-3-6-19-9-11)10-21-14-8-12(5-7-20-14)15(16,17)18/h3-9,13H,10H2,1-2H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
(1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 310.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N,N-dimethyl-1-pyridin-3-yl-N'-[4-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 97221902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).