N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine

C14H15F3N4O — CID 133489708

IUPACN,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
SMILESCN(C)c1ncccc1CNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C14H15F3N4O/c1-21(2)13-10(4-3-7-18-13)8-19-12-6-5-11(9-20-12)22-14(15,16)17/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyUCXPHKBRUCYZGL-UHFFFAOYSA-N
MW312.30 g/mol
LogP3.05
Rot. Bonds5

About N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine

N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine (PubChem CID 133489708) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
PubChem CID133489708
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC NameN,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine
SMILESCN(C)c1ncccc1CNc1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C14H15F3N4O/c1-21(2)13-10(4-3-7-18-13)8-19-12-6-5-11(9-20-12)22-14(15,16)17/h3-7,9H,8H2,1-2H3,(H,19,20)
InChIKeyUCXPHKBRUCYZGL-UHFFFAOYSA-N
XLogP3.05
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489388
N-[[2-(difluoromethoxy)phenyl]methyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133489068
2-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine
CID 111055971
N-ethyl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 114280854
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
N-(2-methyl-2-methylsulfanylpropyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133492021
N,N-dimethyl-1-thiophen-2-yl-N'-[5-(trifluoromethoxy)-2-pyridinyl]ethane-1,2-diamine
CID 133488362
N-(cyclopropylmethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 133489171
N,N-dimethyl-3-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]pyridin-2-amine
CID 55827227
N-[2-(6-methyl-3-pyridinyl)ethyl]-5-(trifluoromethoxy)pyridin-2-amine
CID 133487556
6-chloro-4-N-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrimidine-2,4-diamine
CID 47280536
ethane;N-propan-2-yl-5-(trifluoromethoxy)pyridin-2-amine
CID 169238058

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine?
The IUPAC name of N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine (CID 133489708) is N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine.
What is the SMILES notation for N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine?
The canonical SMILES for N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine is CN(C)c1ncccc1CNc1ccc(OC(F)(F)F)cn1.
What is the InChIKey of N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine?
The InChIKey is UCXPHKBRUCYZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-21(2)13-10(4-3-7-18-13)8-19-12-6-5-11(9-20-12)22-14(15,16)17/h3-7,9H,8H2,1-2H3,(H,19,20).
What are the key properties of N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine?
N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine has a molecular weight of 312.30 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[[5-(trifluoromethoxy)-2-pyridinyl]amino]methyl]pyridin-2-amine is sourced from PubChem (CID 133489708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).