carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium

C14H18N3Pm3-3 — CID 59491923

IUPACcarbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium
SMILESC1=c2cc3cccnc3nc2=NCC1.[CH3-].[CH3-].[CH3-].[Pm].[Pm].[Pm]
InChIInChI=1S/C11H9N3.3CH3.3Pm/c1-3-8-7-9-4-2-6-13-11(9)14-10(8)12-5-1;;;;;;/h1,3-5,7H,2,6H2;3*1H3;;;/q;3*-1;;;
InChIKeySBQTZFIQODXXQA-UHFFFAOYSA-N
MW663.32 g/mol
LogP1.78
Rot. Bonds

About carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium

carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium (PubChem CID 59491923) has the molecular formula C14H18N3Pm3-3 and a molecular weight of 663.32 g/mol. Its IUPAC name is carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium.

Molecular Properties

Compound Namecarbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium
PubChem CID59491923
Molecular FormulaC14H18N3Pm3-3
Molecular Weight663.32 g/mol
Exact Mass662.89
IUPAC Namecarbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium
SMILESC1=c2cc3cccnc3nc2=NCC1.[CH3-].[CH3-].[CH3-].[Pm].[Pm].[Pm]
InChIInChI=1S/C11H9N3.3CH3.3Pm/c1-3-8-7-9-4-2-6-13-11(9)14-10(8)12-5-1;;;;;;/h1,3-5,7H,2,6H2;3*1H3;;;/q;3*-1;;;
InChIKeySBQTZFIQODXXQA-UHFFFAOYSA-N
XLogP1.78
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500663.32
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydro-1,8-naphthyridine
CID 53699458
Tripyrido[2,3-b:2',3'-f:2'',3''-j][1,5,9]triazacyclododecine
CID 91870138
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
2,3-Dimethylidene-1,8-naphthyridine
CID 91183051
2-Methyl-3,8-dihydropyrido[2,3-b][1,8]naphthyridine
CID 129067763
7,8-Dihydrobenzo[b][1,8]naphthyridine
CID 130291489
(5Z,7Z)-5-[(1Z)-buta-1,3-dienyl]-6-methyl-9-methylidene-4H-1,3-diazecine
CID 130294702
N-methyl-3-propan-2-ylidenepyridin-2-imine
CID 142275824
ethane;(4E,5E)-2-methyl-4,5-bis(prop-2-enylidene)pyrimidine
CID 142280939
ethane;(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
CID 142845485
(3Z)-N-methyl-3-prop-2-enylidenepyridin-2-imine
CID 142845486

Frequently Asked Questions

What is the IUPAC name of carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium?
The IUPAC name of carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium (CID 59491923) is carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium.
What is the SMILES notation for carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium?
The canonical SMILES for carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium is C1=c2cc3cccnc3nc2=NCC1.[CH3-].[CH3-].[CH3-].[Pm].[Pm].[Pm].
What is the InChIKey of carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium?
The InChIKey is SBQTZFIQODXXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3.3CH3.3Pm/c1-3-8-7-9-4-2-6-13-11(9)14-10(8)12-5-1;;;;;;/h1,3-5,7H,2,6H2;3*1H3;;;/q;3*-1;;;.
What are the key properties of carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium?
carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium has a molecular weight of 663.32 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;7,8-dihydropyrido[2,3-b][1,8]naphthyridine;promethium is sourced from PubChem (CID 59491923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).