N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate

C39H36F12N10O3P2Ru — CID 139158376

IUPACN-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(NCCN(CCNC(=O)c1ccc(-c2ccccn2)nc1)CCNC(=O)c1ccc(-c2ccccn2)nc1)c1ccc(-c2ccccn2)nc1.[Ru+2]
InChIInChI=1S/C39H36N10O3.2F6P.Ru/c50-37(28-10-13-34(46-25-28)31-7-1-4-16-40-31)43-19-22-49(23-20-44-38(51)29-11-14-35(47-26-29)32-8-2-5-17-41-32)24-21-45-39(52)30-12-15-36(48-27-30)33-9-3-6-18-42-33;2*1-7(2,3,4,5)6;/h1-18,25-27H,19-24H2,(H,43,50)(H,44,51)(H,45,52);;;/q;2*-1;+2
InChIKeyJMNNFNLRTHOJCU-UHFFFAOYSA-N
MW1083.78 g/mol
LogP10.71
Rot. Bonds15

About N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate

N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate (PubChem CID 139158376) has the molecular formula C39H36F12N10O3P2Ru and a molecular weight of 1083.78 g/mol. Its IUPAC name is N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate.

Molecular Properties

Compound NameN-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate
PubChem CID139158376
Molecular FormulaC39H36F12N10O3P2Ru
Molecular Weight1083.78 g/mol
Exact Mass1084.13
IUPAC NameN-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(NCCN(CCNC(=O)c1ccc(-c2ccccn2)nc1)CCNC(=O)c1ccc(-c2ccccn2)nc1)c1ccc(-c2ccccn2)nc1.[Ru+2]
InChIInChI=1S/C39H36N10O3.2F6P.Ru/c50-37(28-10-13-34(46-25-28)31-7-1-4-16-40-31)43-19-22-49(23-20-44-38(51)29-11-14-35(47-26-29)32-8-2-5-17-41-32)24-21-45-39(52)30-12-15-36(48-27-30)33-9-3-6-18-42-33;2*1-7(2,3,4,5)6;/h1-18,25-27H,19-24H2,(H,43,50)(H,44,51)(H,45,52);;;/q;2*-1;+2
InChIKeyJMNNFNLRTHOJCU-UHFFFAOYSA-N
XLogP10.71
TPSA167.88 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001083.78
LogP ≤ 510.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate?
The IUPAC name of N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate (CID 139158376) is N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate.
What is the SMILES notation for N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate?
The canonical SMILES for N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate is F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C(NCCN(CCNC(=O)c1ccc(-c2ccccn2)nc1)CCNC(=O)c1ccc(-c2ccccn2)nc1)c1ccc(-c2ccccn2)nc1.[Ru+2].
What is the InChIKey of N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate?
The InChIKey is JMNNFNLRTHOJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H36N10O3.2F6P.Ru/c50-37(28-10-13-34(46-25-28)31-7-1-4-16-40-31)43-19-22-49(23-20-44-38(51)29-11-14-35(47-26-29)32-8-2-5-17-41-32)24-21-45-39(52)30-12-15-36(48-27-30)33-9-3-6-18-42-33;2*1-7(2,3,4,5)6;/h1-18,25-27H,19-24H2,(H,43,50)(H,44,51)(H,45,52);;;/q;2*-1;+2.
What are the key properties of N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate?
N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate has a molecular weight of 1083.78 g/mol, XLogP of 10.71, 15 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[bis[2-[(6-pyridin-2-ylpyridine-3-carbonyl)amino]ethyl]amino]ethyl]-6-pyridin-2-ylpyridine-3-carboxamide;ruthenium(2+);dihexafluorophosphate is sourced from PubChem (CID 139158376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).