N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine

C18H17F3N6 — CID 56947356

IUPACN'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)ccn1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)13-5-8-24-17(11-13)27-15-3-1-2-14(26-15)12-4-7-23-16(10-12)25-9-6-22/h1-5,7-8,10-11H,6,9,22H2,(H,23,25)(H,24,26,27)
InChIKeyORHYDQQZQLCHSW-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.67
Rot. Bonds6

About N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine

N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine (PubChem CID 56947356) has the molecular formula C18H17F3N6 and a molecular weight of 374.37 g/mol. Its IUPAC name is N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
PubChem CID56947356
Molecular FormulaC18H17F3N6
Molecular Weight374.37 g/mol
Exact Mass374.15
IUPAC NameN'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine
SMILESNCCNc1cc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)ccn1
InChIInChI=1S/C18H17F3N6/c19-18(20,21)13-5-8-24-17(11-13)27-15-3-1-2-14(26-15)12-4-7-23-16(10-12)25-9-6-22/h1-5,7-8,10-11H,6,9,22H2,(H,23,25)(H,24,26,27)
InChIKeyORHYDQQZQLCHSW-UHFFFAOYSA-N
XLogP3.67
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]ethylcarbamic acid
CID 66836468
6-[3-(2-aminoethyl)phenyl]-4-phenyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56948135
6-(3-piperidin-4-ylphenyl)-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 56947353
tert-butyl 4-[3-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 159815368
3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzoic acid
CID 66857601
N-[[4-(2-aminoethyl)phenyl]methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 66330659
4-methyl-6-pyridin-3-yl-N-[4-(trifluoromethyl)-2-pyridinyl]pyridin-2-amine
CID 149220337
N-(5-chloropentyl)-4-(trifluoromethyl)pyridin-2-amine
CID 107320732
2-methyl-N'-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,5-diamine
CID 114151133
4-N-tert-butyl-2-(6-methyl-2-pyridinyl)-6-N-[4-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 121388250
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
N-(4-ethylphenyl)-4-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 44605400

Frequently Asked Questions

What is the IUPAC name of N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine (CID 56947356) is N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine is NCCNc1cc(-c2cccc(Nc3cc(C(F)(F)F)ccn3)n2)ccn1.
What is the InChIKey of N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is ORHYDQQZQLCHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6/c19-18(20,21)13-5-8-24-17(11-13)27-15-3-1-2-14(26-15)12-4-7-23-16(10-12)25-9-6-22/h1-5,7-8,10-11H,6,9,22H2,(H,23,25)(H,24,26,27).
What are the key properties of N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine?
N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 374.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 56947356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).