6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide

C42H63N7O15 — CID 166650684

IUPAC6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide
SMILESCN(C[C@H](O)[C@@H](O)[C@H](O)CCO)C(=O)c1ccc(CN(Cc2ccc(C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)CCO)cn2)Cc2ccc(C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)CCO)cn2)nc1
InChIInChI=1S/C42H63N7O15/c1-46(22-34(56)37(59)31(53)10-13-50)40(62)25-4-7-28(43-16-25)19-49(20-29-8-5-26(17-44-29)41(63)47(2)23-35(57)38(60)32(54)11-14-51)21-30-9-6-27(18-45-30)42(64)48(3)24-36(58)39(61)33(55)12-15-52/h4-9,16-18,31-39,50-61H,10-15,19-24H2,1-3H3/t31-,32-,33-,34+,35+,36+,37+,38+,39+/m1/s1
InChIKeyDYTBRYGMPNXNGC-FVVZLMAISA-N
MW906.00 g/mol
LogP-4.31
Rot. Bonds27

About 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide

6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide (PubChem CID 166650684) has the molecular formula C42H63N7O15 and a molecular weight of 906.00 g/mol. Its IUPAC name is 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide
PubChem CID166650684
Molecular FormulaC42H63N7O15
Molecular Weight906.00 g/mol
Exact Mass905.44
IUPAC Name6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide
SMILESCN(C[C@H](O)[C@@H](O)[C@H](O)CCO)C(=O)c1ccc(CN(Cc2ccc(C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)CCO)cn2)Cc2ccc(C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)CCO)cn2)nc1
InChIInChI=1S/C42H63N7O15/c1-46(22-34(56)37(59)31(53)10-13-50)40(62)25-4-7-28(43-16-25)19-49(20-29-8-5-26(17-44-29)41(63)47(2)23-35(57)38(60)32(54)11-14-51)21-30-9-6-27(18-45-30)42(64)48(3)24-36(58)39(61)33(55)12-15-52/h4-9,16-18,31-39,50-61H,10-15,19-24H2,1-3H3/t31-,32-,33-,34+,35+,36+,37+,38+,39+/m1/s1
InChIKeyDYTBRYGMPNXNGC-FVVZLMAISA-N
XLogP-4.31
TPSA345.60 Ų
H-Bond Donors12
H-Bond Acceptors19
Rotatable Bonds27
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500906.00
LogP ≤ 5-4.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1019

Analyze 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[[bis[[5-[[(2S)-2,3-dihydroxypropyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3-dihydroxypropyl)pyridine-3-carboxamide
CID 167019978
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
2-N,5-N-bis(1,3-dihydroxypropyl)-2-N,5-N-dimethylpyridine-2,5-dicarboxamide
CID 22457972
N-(dicyclopropylmethyl)-6-[(dimethylamino)methyl]-N-methylpyridine-3-carboxamide
CID 126798170
6-(ethylamino)-N-(2-hydroxypropyl)-N-methylpyridine-3-carboxamide
CID 62337035
N-(2-hydroxy-3-methoxypropyl)-N,6-dimethylpyridine-3-carboxamide
CID 54993418
6-fluoro-N-methyl-N-(3-methylbutyl)pyridine-3-carboxamide
CID 63979148
6-[[(5-carboxy-2-pyridinyl)methyl-[(5-formyl-2-pyridinyl)methyl]amino]methyl]pyridine-3-carboxylic acid;methanol
CID 142289209
6-amino-N-methyl-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 62156193
methyl 6-[[1-(dimethylamino)propan-2-yl-ethylamino]methyl]pyridine-3-carboxylate
CID 103189691
methyl 6-[[(2-hydroxy-3-methylbutyl)amino]methyl]pyridine-3-carboxylate
CID 113492195
methyl 6-[[5-hydroxypentyl(methyl)amino]methyl]pyridine-3-carboxylate
CID 107200733

Frequently Asked Questions

What is the IUPAC name of 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide?
The IUPAC name of 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide (CID 166650684) is 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide is CN(C[C@H](O)[C@@H](O)[C@H](O)CCO)C(=O)c1ccc(CN(Cc2ccc(C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)CCO)cn2)Cc2ccc(C(=O)N(C)C[C@H](O)[C@@H](O)[C@H](O)CCO)cn2)nc1.
What is the InChIKey of 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide?
The InChIKey is DYTBRYGMPNXNGC-FVVZLMAISA-N. The full InChI is InChI=1S/C42H63N7O15/c1-46(22-34(56)37(59)31(53)10-13-50)40(62)25-4-7-28(43-16-25)19-49(20-29-8-5-26(17-44-29)41(63)47(2)23-35(57)38(60)32(54)11-14-51)21-30-9-6-27(18-45-30)42(64)48(3)24-36(58)39(61)33(55)12-15-52/h4-9,16-18,31-39,50-61H,10-15,19-24H2,1-3H3/t31-,32-,33-,34+,35+,36+,37+,38+,39+/m1/s1.
What are the key properties of 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide?
6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide has a molecular weight of 906.00 g/mol, XLogP of -4.31, 27 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis[[5-[methyl-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-methyl-N-[(2S,3S,4R)-2,3,4,6-tetrahydroxyhexyl]pyridine-3-carboxamide is sourced from PubChem (CID 166650684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).