6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium

C93H100N18O10 — CID 157491925

IUPAC6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium
SMILESC[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CN(C)C(=O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.O=C(O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.O=C([O-])c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.[NH3+]CCc1ccc(CC(=O)c2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)cc1
InChIInChI=1S/C28H29N5O.C27H35N5O5.2C19H18N4O2/c29-14-13-22-7-9-23(10-8-22)17-28(34)24-11-12-27(32-18-24)21-33(19-25-5-1-3-15-30-25)20-26-6-2-4-16-31-26;1-19(18-33)25(35)26(36)24(34)17-31(2)27(37)20-9-10-23(30-13-20)16-32(14-21-7-3-5-11-28-21)15-22-8-4-6-12-29-22;2*24-19(25)15-7-8-18(22-11-15)14-23(12-16-5-1-3-9-20-16)13-17-6-2-4-10-21-17/h1-12,15-16,18H,13-14,17,19-21,29H2;3-13,19,24-26,33-36H,14-18H2,1-2H3;2*1-11H,12-14H2,(H,24,25)/t;19-,24+,25-,26-;;/m.1../s1
InChIKeyBXJMMMGBVQMVNG-XUWZJIGZSA-N
MW1629.94 g/mol
LogP8.35
Rot. Bonds38

About 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium

6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium (PubChem CID 157491925) has the molecular formula C93H100N18O10 and a molecular weight of 1629.94 g/mol. Its IUPAC name is 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium.

Molecular Properties

Compound Name6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium
PubChem CID157491925
Molecular FormulaC93H100N18O10
Molecular Weight1629.94 g/mol
Exact Mass1628.79
IUPAC Name6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium
SMILESC[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CN(C)C(=O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.O=C(O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.O=C([O-])c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.[NH3+]CCc1ccc(CC(=O)c2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)cc1
InChIInChI=1S/C28H29N5O.C27H35N5O5.2C19H18N4O2/c29-14-13-22-7-9-23(10-8-22)17-28(34)24-11-12-27(32-18-24)21-33(19-25-5-1-3-15-30-25)20-26-6-2-4-16-31-26;1-19(18-33)25(35)26(36)24(34)17-31(2)27(37)20-9-10-23(30-13-20)16-32(14-21-7-3-5-11-28-21)15-22-8-4-6-12-29-22;2*24-19(25)15-7-8-18(22-11-15)14-23(12-16-5-1-3-9-20-16)13-17-6-2-4-10-21-17/h1-12,15-16,18H,13-14,17,19-21,29H2;3-13,19,24-26,33-36H,14-18H2,1-2H3;2*1-11H,12-14H2,(H,24,25)/t;19-,24+,25-,26-;;/m.1../s1
InChIKeyBXJMMMGBVQMVNG-XUWZJIGZSA-N
XLogP8.35
TPSA391.01 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds38
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001629.94
LogP ≤ 58.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium with MolForge

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Related Compounds

methane;6-pyrazin-2-ylpyridine-3-carboxylic acid;6-pyrazin-2-yl-N-[[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methyl]pyridine-3-carboxamide;[6-[2-(trifluoromethyl)-4-pyridinyl]-3-pyridinyl]methanamine
CID 159136642
6-Ethenylpyridine-3-carboxylic acid;2-(6-ethenyl-3-pyridinyl)acetic acid;(6-ethenyl-3-pyridinyl)methanamine;2-[2-[(6-ethenyl-3-pyridinyl)methylamino]-2-oxoethoxy]acetic acid;3-(6-ethenyl-3-pyridinyl)propanoic acid;2-ethenyl-5-(trifluoromethyl)pyridine-4-carboxylic acid;6-ethenyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 161267007
29,31-Bis(2-aminoethylcarbamoyl)-1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28,30,32(34)-pentadecaene-5,10,18,23-tetracarboxylic acid
CID 10235788
2-[[31-(2-Azaniumylethylcarbamoyl)-5,10,18,23-tetracarboxy-1,14,34,35,36,37,38-heptazaheptacyclo[12.12.7.13,7.18,12.116,20.121,25.128,32]octatriaconta-3(38),4,6,8,10,12(37),16(36),17,19,21,23,25(35),28(34),29,31-pentadecaene-29-carbonyl]amino]ethylazanium
CID 23545480
[(3R)-1-[2-[(6-methylpyridine-3-carbonyl)amino]ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-diphenylacetate
CID 91301899
6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-[4-[2-[methyl-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]amino]-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 134274836
6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-[4-[2-[methyl(2,3,4,6-tetrahydroxyhexyl)amino]-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 142289336
6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-[4-[2-[methyl-[(2S,3S,4R,5S)-2,3,5,6-tetrahydroxy-4-methylhexyl]amino]-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 142289380
6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-[4-[2-[methyl(2,3,4,6-tetrahydroxyhexyl)amino]-2-oxoethyl]phenyl]pyridine-3-carboxamide;ethane;propane
CID 142289383
6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-[4-[2-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-2-oxoethyl]phenyl]pyridine-3-carboxamide
CID 156579234
6-[[[2-[Bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyridine-3-carboxylic acid;2-[[2-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl-(carboxymethyl)amino]cyclohexyl]-(carboxylatomethyl)amino]acetate;tert-butyl 2-[[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclohexyl]-[[5-[2-[bis(pyridin-2-ylmethyl)amino]ethylcarbamoyl]-2-pyridinyl]methyl]amino]acetate;methane
CID 157080560
6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;[(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxy-6-[[6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carbonyl]-methylamino]hexyl] acetate;[(2R,3R,4R,5S)-2,3,4,5-tetraacetyloxyoctyl] acetate;hydrochloride
CID 157146376

Frequently Asked Questions

What is the IUPAC name of 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium?
The IUPAC name of 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium (CID 157491925) is 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium.
What is the SMILES notation for 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium?
The canonical SMILES for 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium is C[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)CN(C)C(=O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.O=C(O)c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.O=C([O-])c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.[NH3+]CCc1ccc(CC(=O)c2ccc(CN(Cc3ccccn3)Cc3ccccn3)nc2)cc1.
What is the InChIKey of 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium?
The InChIKey is BXJMMMGBVQMVNG-XUWZJIGZSA-N. The full InChI is InChI=1S/C28H29N5O.C27H35N5O5.2C19H18N4O2/c29-14-13-22-7-9-23(10-8-22)17-28(34)24-11-12-27(32-18-24)21-33(19-25-5-1-3-15-30-25)20-26-6-2-4-16-31-26;1-19(18-33)25(35)26(36)24(34)17-31(2)27(37)20-9-10-23(30-13-20)16-32(14-21-7-3-5-11-28-21)15-22-8-4-6-12-29-22;2*24-19(25)15-7-8-18(22-11-15)14-23(12-16-5-1-3-9-20-16)13-17-6-2-4-10-21-17/h1-12,15-16,18H,13-14,17,19-21,29H2;3-13,19,24-26,33-36H,14-18H2,1-2H3;2*1-11H,12-14H2,(H,24,25)/t;19-,24+,25-,26-;;/m.1../s1.
What are the key properties of 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium?
6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium has a molecular weight of 1629.94 g/mol, XLogP of 8.35, 38 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis(pyridin-2-ylmethyl)amino]methyl]-N-methyl-N-[(2S,3S,4R,5R)-2,3,4,6-tetrahydroxy-5-methylhexyl]pyridine-3-carboxamide;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylate;6-[[bis(pyridin-2-ylmethyl)amino]methyl]pyridine-3-carboxylic acid;2-[4-[2-[6-[[bis(pyridin-2-ylmethyl)amino]methyl]-3-pyridinyl]-2-oxoethyl]phenyl]ethylazanium is sourced from PubChem (CID 157491925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).