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

C35H50N6O10 — CID 134274950

IUPACN-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide
SMILESCc1ccc(CN(Cc2ccc(C(=O)N(C)CC(O)C(O)C(O)CCO)cn2)Cc2ccc(C(=O)N(C)CC(O)C(O)C(O)CCO)cn2)nc1
InChIInChI=1S/C35H50N6O10/c1-22-4-7-25(36-14-22)17-41(18-26-8-5-23(15-37-26)34(50)39(2)20-30(46)32(48)28(44)10-12-42)19-27-9-6-24(16-38-27)35(51)40(3)21-31(47)33(49)29(45)11-13-43/h4-9,14-16,28-33,42-49H,10-13,17-21H2,1-3H3
InChIKeyFMBWIRBBICYTOR-UHFFFAOYSA-N
MW714.82 g/mol
LogP-1.54
Rot. Bonds20

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

N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide (PubChem CID 134274950) has the molecular formula C35H50N6O10 and a molecular weight of 714.82 g/mol. Its IUPAC name is N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide
PubChem CID134274950
Molecular FormulaC35H50N6O10
Molecular Weight714.82 g/mol
Exact Mass714.36
IUPAC NameN-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide
SMILESCc1ccc(CN(Cc2ccc(C(=O)N(C)CC(O)C(O)C(O)CCO)cn2)Cc2ccc(C(=O)N(C)CC(O)C(O)C(O)CCO)cn2)nc1
InChIInChI=1S/C35H50N6O10/c1-22-4-7-25(36-14-22)17-41(18-26-8-5-23(15-37-26)34(50)39(2)20-30(46)32(48)28(44)10-12-42)19-27-9-6-24(16-38-27)35(51)40(3)21-31(47)33(49)29(45)11-13-43/h4-9,14-16,28-33,42-49H,10-13,17-21H2,1-3H3
InChIKeyFMBWIRBBICYTOR-UHFFFAOYSA-N
XLogP-1.54
TPSA244.37 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds20
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500714.82
LogP ≤ 5-1.54
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide (CID 134274950) is N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide is Cc1ccc(CN(Cc2ccc(C(=O)N(C)CC(O)C(O)C(O)CCO)cn2)Cc2ccc(C(=O)N(C)CC(O)C(O)C(O)CCO)cn2)nc1.
What is the InChIKey of N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide?
The InChIKey is FMBWIRBBICYTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H50N6O10/c1-22-4-7-25(36-14-22)17-41(18-26-8-5-23(15-37-26)34(50)39(2)20-30(46)32(48)28(44)10-12-42)19-27-9-6-24(16-38-27)35(51)40(3)21-31(47)33(49)29(45)11-13-43/h4-9,14-16,28-33,42-49H,10-13,17-21H2,1-3H3.
What are the key properties of N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide?
N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide has a molecular weight of 714.82 g/mol, XLogP of -1.54, 20 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[[(5-methyl-2-pyridinyl)methyl-[[5-[methyl(2,3,4,6-tetrahydroxyhexyl)carbamoyl]-2-pyridinyl]methyl]amino]methyl]-N-(2,3,4,6-tetrahydroxyhexyl)pyridine-3-carboxamide is sourced from PubChem (CID 134274950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).