N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine

C16H14F3N3 — CID 141247114

IUPACN,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
SMILESCN(C)c1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C16H14F3N3/c1-22(2)15-9-20-6-5-12(15)14-8-10-7-11(16(17,18)19)3-4-13(10)21-14/h3-9,21H,1-2H3
InChIKeyCJNNFJQSWDAHIA-UHFFFAOYSA-N
MW305.30 g/mol
LogP4.31
Rot. Bonds2

About N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine

N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine (PubChem CID 141247114) has the molecular formula C16H14F3N3 and a molecular weight of 305.30 g/mol. Its IUPAC name is N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
PubChem CID141247114
Molecular FormulaC16H14F3N3
Molecular Weight305.30 g/mol
Exact Mass305.11
IUPAC NameN,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
SMILESCN(C)c1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1
InChIInChI=1S/C16H14F3N3/c1-22(2)15-9-20-6-5-12(15)14-8-10-7-11(16(17,18)19)3-4-13(10)21-14/h3-9,21H,1-2H3
InChIKeyCJNNFJQSWDAHIA-UHFFFAOYSA-N
XLogP4.31
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247005
2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247087
2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247036
5-tert-butyl-2-pyridin-4-yl-1H-indole
CID 131887138
1-methyl-5-[5-(trifluoromethyl)-1H-indol-2-yl]pyrazol-3-amine
CID 136985773
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247106
N,N-dimethyl-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 126644745
[5-(trifluoromethyl)-1H-indol-2-yl]methanamine
CID 117195095
[2-(dimethylamino)-5-(trifluoromethyl)phenyl]boronic acid
CID 91758868

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine (CID 141247114) is N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine is CN(C)c1cnccc1-c1cc2cc(C(F)(F)F)ccc2[nH]1.
What is the InChIKey of N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine?
The InChIKey is CJNNFJQSWDAHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3/c1-22(2)15-9-20-6-5-12(15)14-8-10-7-11(16(17,18)19)3-4-13(10)21-14/h3-9,21H,1-2H3.
What are the key properties of N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine?
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine has a molecular weight of 305.30 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine is sourced from PubChem (CID 141247114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).