2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen

C80H102F6N18O5 — CID 158099919

IUPAC2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen
SMILESC/C=C/c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1C.CCCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1C.NC(=O)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NCC2CCCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H26N4O.C23H32N4O.C18H20F3N5O.C14H12F3N5O2.6H2/c1-3-8-20-12-13-23(28-24(20)25(30)21-11-7-14-26-18(21)2)29-16-15-27-22(17-29)19-9-5-4-6-10-19;1-5-7-18-9-10-21(27-13-12-25-19(15-27)14-16(2)3)26-22(18)23(28)20-8-6-11-24-17(20)4;19-18(20,21)13-5-6-14(25-10-11-3-1-7-23-9-11)26-15(13)16(27)12-4-2-8-24-17(12)22;15-14(16,17)8-3-4-10(21-6-9(18)23)22-11(8)12(24)7-2-1-5-20-13(7)19;;;;;;/h3-14,22,27H,15-17H2,1-2H3;6,8-11,16,19,25H,5,7,12-15H2,1-4H3;2,4-6,8,11,23H,1,3,7,9-10H2,(H2,22,24)(H,25,26);1-5H,6H2,(H2,18,23)(H2,19,20)(H,21,22);6*1H/b8-3+;;;;;;;;;/t;19-;;;;;;;;/m.0......../s1
InChIKeyFPCXZKWEUDKNSD-HPSXHMFISA-N
MW1509.80 g/mol
LogP13.39
Rot. Bonds22

About 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen

2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen (PubChem CID 158099919) has the molecular formula C80H102F6N18O5 and a molecular weight of 1509.80 g/mol. Its IUPAC name is 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen.

Molecular Properties

Compound Name2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen
PubChem CID158099919
Molecular FormulaC80H102F6N18O5
Molecular Weight1509.80 g/mol
Exact Mass1508.82
IUPAC Name2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen
SMILESC/C=C/c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1C.CCCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1C.NC(=O)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NCC2CCCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H26N4O.C23H32N4O.C18H20F3N5O.C14H12F3N5O2.6H2/c1-3-8-20-12-13-23(28-24(20)25(30)21-11-7-14-26-18(21)2)29-16-15-27-22(17-29)19-9-5-4-6-10-19;1-5-7-18-9-10-21(27-13-12-25-19(15-27)14-16(2)3)26-22(18)23(28)20-8-6-11-24-17(20)4;19-18(20,21)13-5-6-14(25-10-11-3-1-7-23-9-11)26-15(13)16(27)12-4-2-8-24-17(12)22;15-14(16,17)8-3-4-10(21-6-9(18)23)22-11(8)12(24)7-2-1-5-20-13(7)19;;;;;;/h3-14,22,27H,15-17H2,1-2H3;6,8-11,16,19,25H,5,7,12-15H2,1-4H3;2,4-6,8,11,23H,1,3,7,9-10H2,(H2,22,24)(H,25,26);1-5H,6H2,(H2,18,23)(H2,19,20)(H,21,22);6*1H/b8-3+;;;;;;;;;/t;19-;;;;;;;;/m.0......../s1
InChIKeyFPCXZKWEUDKNSD-HPSXHMFISA-N
XLogP13.39
TPSA333.16 Ų
H-Bond Donors8
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms109
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001509.80
LogP ≤ 513.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1022

Analyze 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen with MolForge

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Launch Full Analysis

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
3-amino-N-[3-(4-aminopiperidin-1-yl)pyridin-2-yl]-6-[6-(dimethylamino)-3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide
CID 118873182
2-[2-[6-[8-[6-[bis[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]amino]hexyl-methylamino]octyl-methylamino]hexylamino]acetyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 155519740
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen?
The IUPAC name of 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen (CID 158099919) is 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen.
What is the SMILES notation for 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen?
The canonical SMILES for 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen is C/C=C/c1ccc(N2CCNC(c3ccccc3)C2)nc1C(=O)c1cccnc1C.CCCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1C.NC(=O)CNc1ccc(C(F)(F)F)c(C(=O)c2cccnc2N)n1.Nc1ncccc1C(=O)c1nc(NCC2CCCNC2)ccc1C(F)(F)F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen?
The InChIKey is FPCXZKWEUDKNSD-HPSXHMFISA-N. The full InChI is InChI=1S/C25H26N4O.C23H32N4O.C18H20F3N5O.C14H12F3N5O2.6H2/c1-3-8-20-12-13-23(28-24(20)25(30)21-11-7-14-26-18(21)2)29-16-15-27-22(17-29)19-9-5-4-6-10-19;1-5-7-18-9-10-21(27-13-12-25-19(15-27)14-16(2)3)26-22(18)23(28)20-8-6-11-24-17(20)4;19-18(20,21)13-5-6-14(25-10-11-3-1-7-23-9-11)26-15(13)16(27)12-4-2-8-24-17(12)22;15-14(16,17)8-3-4-10(21-6-9(18)23)22-11(8)12(24)7-2-1-5-20-13(7)19;;;;;;/h3-14,22,27H,15-17H2,1-2H3;6,8-11,16,19,25H,5,7,12-15H2,1-4H3;2,4-6,8,11,23H,1,3,7,9-10H2,(H2,22,24)(H,25,26);1-5H,6H2,(H2,18,23)(H2,19,20)(H,21,22);6*1H/b8-3+;;;;;;;;;/t;19-;;;;;;;;/m.0......../s1.
What are the key properties of 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen?
2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen has a molecular weight of 1509.80 g/mol, XLogP of 13.39, 22 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-aminopyridine-3-carbonyl)-5-(trifluoromethyl)-2-pyridinyl]amino]acetamide;(2-amino-3-pyridinyl)-[6-(piperidin-3-ylmethylamino)-3-(trifluoromethyl)-2-pyridinyl]methanone;[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]-(2-methyl-3-pyridinyl)methanone;(2-methyl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-3-[(E)-prop-1-enyl]-2-pyridinyl]methanone;molecular hydrogen is sourced from PubChem (CID 158099919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).