N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium

C36H36N8ORu — CID 59758649

IUPACN-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCc1ccnc(-c2cc(C(=O)NCCCCN)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H20N4O.2C10H8N2.Ru/c1-12-4-8-18-14(10-12)15-11-13(5-9-19-15)16(21)20-7-3-2-6-17;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,8-11H,2-3,6-7,17H2,1H3,(H,20,21);2*1-8H;
InChIKeyGJCWNOHJPXDIMK-UHFFFAOYSA-N
MW697.81 g/mol
LogP6.21
Rot. Bonds8

About N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium

N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 59758649) has the molecular formula C36H36N8ORu and a molecular weight of 697.81 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID59758649
Molecular FormulaC36H36N8ORu
Molecular Weight697.81 g/mol
Exact Mass698.21
IUPAC NameN-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCc1ccnc(-c2cc(C(=O)NCCCCN)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C16H20N4O.2C10H8N2.Ru/c1-12-4-8-18-14(10-12)15-11-13(5-9-19-15)16(21)20-7-3-2-6-17;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,8-11H,2-3,6-7,17H2,1H3,(H,20,21);2*1-8H;
InChIKeyGJCWNOHJPXDIMK-UHFFFAOYSA-N
XLogP6.21
TPSA132.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500697.81
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium (CID 59758649) is N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium is Cc1ccnc(-c2cc(C(=O)NCCCCN)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is GJCWNOHJPXDIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.2C10H8N2.Ru/c1-12-4-8-18-14(10-12)15-11-13(5-9-19-15)16(21)20-7-3-2-6-17;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h4-5,8-11H,2-3,6-7,17H2,1H3,(H,20,21);2*1-8H;.
What are the key properties of N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium?
N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 697.81 g/mol, XLogP of 6.21, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-(4-methyl-2-pyridinyl)pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 59758649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).