[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

C64H73F12N19O5 — CID 157193468

IUPAC[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCNCCN(C)c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NCC2CCCN2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H]
InChIInChI=1S/2C17H18F3N5O.C16H18F3N5O.C14H13F3N4O2.3H2/c18-17(19,20)12-5-6-13(24-9-10-3-1-7-22-10)25-14(12)15(26)11-4-2-8-23-16(11)21;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;1-21-8-9-24(2)12-6-5-11(16(17,18)19)13(23-12)14(25)10-4-3-7-22-15(10)20;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19;;;/h2,4-6,8,10,22H,1,3,7,9H2,(H2,21,23)(H,24,25);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);3-7,21H,8-9H2,1-2H3,(H2,20,22);1-4,6H,5,7,18H2,(H2,19,20);3*1H
InChIKeyAPYVOWYEYISLHG-UHFFFAOYSA-N
MW1416.39 g/mol
LogP9.15
Rot. Bonds21

About [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen

[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157193468) has the molecular formula C64H73F12N19O5 and a molecular weight of 1416.39 g/mol. Its IUPAC name is [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157193468
Molecular FormulaC64H73F12N19O5
Molecular Weight1416.39 g/mol
Exact Mass1415.59
IUPAC Name[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen
SMILESCNCCN(C)c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NCC2CCCN2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H]
InChIInChI=1S/2C17H18F3N5O.C16H18F3N5O.C14H13F3N4O2.3H2/c18-17(19,20)12-5-6-13(24-9-10-3-1-7-22-10)25-14(12)15(26)11-4-2-8-23-16(11)21;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;1-21-8-9-24(2)12-6-5-11(16(17,18)19)13(23-12)14(25)10-4-3-7-22-15(10)20;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19;;;/h2,4-6,8,10,22H,1,3,7,9H2,(H2,21,23)(H,24,25);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);3-7,21H,8-9H2,1-2H3,(H2,20,22);1-4,6H,5,7,18H2,(H2,19,20);3*1H
InChIKeyAPYVOWYEYISLHG-UHFFFAOYSA-N
XLogP9.15
TPSA374.12 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds21
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001416.39
LogP ≤ 59.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Related Compounds

(2-aminopyridin-3-yl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-yl]methanone
CID 24994728
1-[3-[5-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]furan-2-yl]-2-pyridinyl]-N-(4-fluorophenyl)piperidin-4-amine
CID 16749727
[6-[2-Amino-2-(oxan-4-yl)ethoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 44816955
[6-(2-Amino-2-phenylethoxy)-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690666
[6-[(2S)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 57690821
[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone
CID 58207395
[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]-pyridin-3-ylmethanone
CID 67739791
[6-[(2S)-2-amino-3-methylbutoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 67739905
[(3S)-3-[[4-[5-(1,3-oxazol-2-yl)-2-pyridinyl]cyclohex-3-en-1-yl]amino]pyrrolidin-1-yl]-[1-[4-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]methanone
CID 70953420
[6-[(2S)-2-amino-4-methylpentoxy]-3-(difluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 89594519
[6-[(2R)-2-amino-4-methylpentoxy]-3-(trifluoromethyl)pyridin-2-yl]-(2-aminopyridin-3-yl)methanone
CID 90325010
2-[6-[4-(1,3-Benzoxazol-2-yl)piperazin-1-yl]-3-pyridinyl]-1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;1-[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 123759213

Frequently Asked Questions

What is the IUPAC name of [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen (CID 157193468) is [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is CNCCN(C)c1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.NCCOc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NCC2CCCN2)ccc1C(F)(F)F.Nc1ncccc1C(=O)c1nc(NCC2CCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].
What is the InChIKey of [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is APYVOWYEYISLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H18F3N5O.C16H18F3N5O.C14H13F3N4O2.3H2/c18-17(19,20)12-5-6-13(24-9-10-3-1-7-22-10)25-14(12)15(26)11-4-2-8-23-16(11)21;18-17(19,20)12-3-4-13(24-9-10-5-7-22-8-10)25-14(12)15(26)11-2-1-6-23-16(11)21;1-21-8-9-24(2)12-6-5-11(16(17,18)19)13(23-12)14(25)10-4-3-7-22-15(10)20;15-14(16,17)9-3-4-10(23-7-5-18)21-11(9)12(22)8-2-1-6-20-13(8)19;;;/h2,4-6,8,10,22H,1,3,7,9H2,(H2,21,23)(H,24,25);1-4,6,10,22H,5,7-9H2,(H2,21,23)(H,24,25);3-7,21H,8-9H2,1-2H3,(H2,20,22);1-4,6H,5,7,18H2,(H2,19,20);3*1H.
What are the key properties of [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen?
[6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1416.39 g/mol, XLogP of 9.15, 21 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-aminoethoxy)-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[6-[methyl-[2-(methylamino)ethyl]amino]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-2-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-(pyrrolidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157193468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).