[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

C87H118F6N20O4 — CID 157114809

IUPAC[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESC=Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.C=Cc1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)CC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCC(N)(CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C23H23N5O.C22H22F3N5O.C19H24F3N5O.13H2/c2*1-2-16-10-11-20(27-21(16)22(29)18-9-6-12-26-23(18)24)28-14-13-25-19(15-28)17-7-4-3-5-8-17;1-2-21(27,14-7-4-3-5-8-14)13-29-17-11-10-16(22(23,24)25)18(30-17)19(31)15-9-6-12-28-20(15)26;1-11(2)9-18(3,24)10-26-14-7-6-13(19(20,21)22)15(27-14)16(28)12-5-4-8-25-17(12)23;;;;;;;;;;;;;/h2*2-12,19,25H,1,13-15H2,(H2,24,26);3-12H,2,13,27H2,1H3,(H2,26,28)(H,29,30);4-8,11H,9-10,24H2,1-3H3,(H2,23,25)(H,26,27);13*1H/t2*19-;;;;;;;;;;;;;;;/m10.............../s1
InChIKeyAHGQSXFIYHEHJP-GPHCUSSKSA-N
MW1622.03 g/mol
LogP16.83
Rot. Bonds24

About [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen

[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 157114809) has the molecular formula C87H118F6N20O4 and a molecular weight of 1622.03 g/mol. Its IUPAC name is [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
PubChem CID157114809
Molecular FormulaC87H118F6N20O4
Molecular Weight1622.03 g/mol
Exact Mass1620.95
IUPAC Name[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen
SMILESC=Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.C=Cc1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)CC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCC(N)(CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/2C23H23N5O.C22H22F3N5O.C19H24F3N5O.13H2/c2*1-2-16-10-11-20(27-21(16)22(29)18-9-6-12-26-23(18)24)28-14-13-25-19(15-28)17-7-4-3-5-8-17;1-2-21(27,14-7-4-3-5-8-14)13-29-17-11-10-16(22(23,24)25)18(30-17)19(31)15-9-6-12-28-20(15)26;1-11(2)9-18(3,24)10-26-14-7-6-13(19(20,21)22)15(27-14)16(28)12-5-4-8-25-17(12)23;;;;;;;;;;;;;/h2*2-12,19,25H,1,13-15H2,(H2,24,26);3-12H,2,13,27H2,1H3,(H2,26,28)(H,29,30);4-8,11H,9-10,24H2,1-3H3,(H2,23,25)(H,26,27);13*1H/t2*19-;;;;;;;;;;;;;;;/m10.............../s1
InChIKeyAHGQSXFIYHEHJP-GPHCUSSKSA-N
XLogP16.83
TPSA382.12 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001622.03
LogP ≤ 516.83
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Related Compounds

NX-5948
CID 156464216
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-phenyl-2-pyridinyl]methanone
CID 57690545
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24993483
(2-amino-3-pyridinyl)-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24993785
(2-amino-3-pyridinyl)-[6-[(3R)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24993787
(2-amino-3-pyridinyl)-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]methanone
CID 24994105
(2-Amino-3-pyridinyl)-[6-(3,3-dimethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 24994106
(2-amino-3-pyridinyl)-[3-cyclopropyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]methanone
CID 24995040
(S)-(2-aminopyridin-3-yl)(6-(3-isobutylpiperazin-1-yl)-3-(trifluoromethyl)pyridin-2-yl)methanone
CID 24995659
(2-amino-3-pyridinyl)-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690468
(2-amino-3-pyridinyl)-[6-[(3R)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]methanone
CID 57690486
(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone
CID 57690510

Frequently Asked Questions

What is the IUPAC name of [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen (CID 157114809) is [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is C=Cc1ccc(N2CCN[C@@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.C=Cc1ccc(N2CCN[C@H](c3ccccc3)C2)nc1C(=O)c1cccnc1N.CC(C)CC(C)(N)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.CCC(N)(CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1)c1ccccc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is AHGQSXFIYHEHJP-GPHCUSSKSA-N. The full InChI is InChI=1S/2C23H23N5O.C22H22F3N5O.C19H24F3N5O.13H2/c2*1-2-16-10-11-20(27-21(16)22(29)18-9-6-12-26-23(18)24)28-14-13-25-19(15-28)17-7-4-3-5-8-17;1-2-21(27,14-7-4-3-5-8-14)13-29-17-11-10-16(22(23,24)25)18(30-17)19(31)15-9-6-12-28-20(15)26;1-11(2)9-18(3,24)10-26-14-7-6-13(19(20,21)22)15(27-14)16(28)12-5-4-8-25-17(12)23;;;;;;;;;;;;;/h2*2-12,19,25H,1,13-15H2,(H2,24,26);3-12H,2,13,27H2,1H3,(H2,26,28)(H,29,30);4-8,11H,9-10,24H2,1-3H3,(H2,23,25)(H,26,27);13*1H/t2*19-;;;;;;;;;;;;;;;/m10.............../s1.
What are the key properties of [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen?
[6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1622.03 g/mol, XLogP of 16.83, 24 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-amino-2,4-dimethylpentyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;[6-[(2-amino-2-phenylbutyl)amino]-3-(trifluoromethyl)-2-pyridinyl]-(2-amino-3-pyridinyl)methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[3-ethenyl-6-[(3R)-3-phenylpiperazin-1-yl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 157114809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).