ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)

C23H35N4ORb — CID 143987259

IUPACethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)
SMILESCC.CCC(CC([NH-])=O)N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1.[Rb+]
InChIInChI=1S/C21H30N4O.C2H6.Rb/c1-3-18(15-20(22)26)24-10-5-11-25(13-12-24)19-14-16(2)7-8-17-6-4-9-23-21(17)19;1-2;/h4,6-9,18H,3,5,10-15H2,1-2H3,(H2,22,26);1-2H3;/q;;+1/p-1
InChIKeyOMKLHYXTDDMRNR-UHFFFAOYSA-M
MW469.03 g/mol
LogP0.11
Rot. Bonds5

About ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)

ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+) (PubChem CID 143987259) has the molecular formula C23H35N4ORb and a molecular weight of 469.03 g/mol. Its IUPAC name is ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+).

Molecular Properties

Compound Nameethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)
PubChem CID143987259
Molecular FormulaC23H35N4ORb
Molecular Weight469.03 g/mol
Exact Mass468.19
IUPAC Nameethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)
SMILESCC.CCC(CC([NH-])=O)N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1.[Rb+]
InChIInChI=1S/C21H30N4O.C2H6.Rb/c1-3-18(15-20(22)26)24-10-5-11-25(13-12-24)19-14-16(2)7-8-17-6-4-9-23-21(17)19;1-2;/h4,6-9,18H,3,5,10-15H2,1-2H3,(H2,22,26);1-2H3;/q;;+1/p-1
InChIKeyOMKLHYXTDDMRNR-UHFFFAOYSA-M
XLogP0.11
TPSA60.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentylazanide;rubidium(1+)
CID 143987289
3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanamide
CID 143987260

Frequently Asked Questions

What is the IUPAC name of ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)?
The IUPAC name of ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+) (CID 143987259) is ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+).
What is the SMILES notation for ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)?
The canonical SMILES for ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+) is CC.CCC(CC([NH-])=O)N1CCCN(C2=c3ncccc3=CC=C(C)C2)CC1.[Rb+].
What is the InChIKey of ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)?
The InChIKey is OMKLHYXTDDMRNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H30N4O.C2H6.Rb/c1-3-18(15-20(22)26)24-10-5-11-25(13-12-24)19-14-16(2)7-8-17-6-4-9-23-21(17)19;1-2;/h4,6-9,18H,3,5,10-15H2,1-2H3,(H2,22,26);1-2H3;/q;;+1/p-1.
What are the key properties of ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+)?
ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+) has a molecular weight of 469.03 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[4-(7-methyl-8H-cyclohepta[b]pyridin-9-yl)-1,4-diazepan-1-yl]pentanoylazanide;rubidium(1+) is sourced from PubChem (CID 143987259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).